1,2-Cyclohexanedicarboximide

Cat. No.: PI1444946

Product Details Other Identifiers Computed Properties

CAS	1444-94-6
Purity	95%
Molecular Formula	C8H11NO2
Molecular Weight	153.18
Molar Refractivity	43.46

Pubchem ID	73559
InChI Key	WLDMPODMCFGWAA-UHFFFAOYSA-N
MDL Number	MFCD00035737

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	0
Topological Polar Surface Area	46.17 Å²
Heavy Atom Count	11
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.75
Log Po/w (iLOGP)	1.21
Log Po/w (XLOGP3)	0.6
Log Po/w (WLOGP)	0.07
Log Po/w (MLOGP)	0.99
Log Po/w (SILICOS-IT)	1.23
Consensus Log Po/w	0.82
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.81 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.01

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