252 to 255 °F at 6 mmHg (NTP, 1992)
BP: 154-156 °C at 11 mm Hg
Physical Description
N,n'-dicyclohexylcarbodiimide is a white crystalline solid with a heavy sweet odor. (NTP, 1992)
Liquid
White solid with a sweet odor; [Hawley] White melt; mp = 33-36 deg C
Appearance
Crystalline mass
White crystals
Colorless crystalline solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
63.61
TPSA
24.72
LogP / Solubility
WLOGP
3.83
MLOGP
3.37
XLogP3
4.7
Consensus LogP
3.97
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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