8-(Benzyloxy)-2-chloroquinoline

Cat. No.: PI343788512

Product Details Other Identifiers Computed Properties

CAS	343788-51-2
Purity	98%
Molecular Formula	C16H12ClNO
Molecular Weight	269.73
Molar Refractivity	77.73

Pubchem ID	22042234
InChI Key	NIEHWTGNWJVDEU-UHFFFAOYSA-N
MDL Number	MFCD09261075

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	3
Topological Polar Surface Area	22.12 Å²
Heavy Atom Count	19
Aromatic Heavy Atoms Number	16
Fraction Csp3	0.06
Log Po/w (iLOGP)	2.82
Log Po/w (XLOGP3)	4.47
Log Po/w (WLOGP)	4.32
Log Po/w (MLOGP)	3.38
Log Po/w (SILICOS-IT)	4.52
Consensus Log Po/w	3.9
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-4.77 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.17

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