Phenyl methylcarbamate

Name: Phenyl methylcarbamate
SKU: PI1943799
Rating: 5 (1 reviews)

Cat. No.: PI1943799

Product Details Other Identifiers Computed Properties

CAS	1943-79-9
Purity	95%
Molecular Formula	C8H9NO2
Molecular Weight	151.16
Molar Refractivity	41.13

Pubchem ID	16034
InChI Key	SCWKRWCUMCMVPW-UHFFFAOYSA-N
MDL Number	MFCD01738783

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	3
Topological Polar Surface Area	38.33 Å²
Heavy Atom Count	11
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.12
Log Po/w (iLOGP)	1.8
Log Po/w (XLOGP3)	1.24
Log Po/w (WLOGP)	1.4
Log Po/w (MLOGP)	1.46
Log Po/w (SILICOS-IT)	0.9
Consensus Log Po/w	1.36
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.34 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	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.62

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