4,5-Dihydro-1H-benzo[d]azepin-2(3H)-one

Name: 4,5-Dihydro-1H-benzo[d]azepin-2(3H)-one
SKU: PI15987505
Rating: 5 (1 reviews)

Cat. No.: PI15987505

Product Details Other Identifiers Computed Properties

CAS	15987-50-5
Purity	95%
Molecular Formula	C10H11NO
Molecular Weight	161.20
Molar Refractivity	50.79

Pubchem ID	204232
InChI Key	GYIYVTGAOWHWRI-UHFFFAOYSA-N
MDL Number	MFCD00456134

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	1.43
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.3
Ghose	None
GI Absorption	High
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.45 cm/s
Log Po/w (iLOGP)	1.6
Log Po/w (MLOGP)	1.49
Log Po/w (SILICOS-IT)	2.37
Log Po/w (WLOGP)	0.52
Log Po/w (XLOGP3)	1.17
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	0
Synthetic Accessibility	1.63
Topological Polar Surface Area	29.1 Å²
Veber	0.0

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