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CAS 18123-20-1 4-ACRIDINOL molecular structure lightbox
CAS RN: 18123-20-1

4-ACRIDINOL

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  • Product code: starshine_CAS18123-20-1
  • Purity/Analytical Methods: >99.0%
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18123-20-1 / acridin-4-ol

Standard CAS: 18123-20-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18123-20-1
Multi CAS
No
Molecular Formula
C13H9NO
Molecular Weight
195.220000
Exact Mass
195.068414
SMILES
C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)O
InChI
InChI=1S/C13H9NO/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14-13(10)12/h1-8,15H
InChIKey
HOYZEVWRZVPHEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.91
TPSA
33.12

LogP / Solubility

WLOGP
3.09
MLOGP
2.72
XLogP3
3.6
Consensus LogP
3.14
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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