4-Bromo-7-chloroisoquinolin-1(2H)-one

Name: 4-Bromo-7-chloroisoquinolin-1(2H)-one
SKU: PI1028252132
Rating: 5 (1 reviews)

Cat. No.: PI1028252132

Product Details Other Identifiers Computed Properties

CAS	1028252-13-2
Purity	95%
Molecular Formula	C9H5BrClNO
Molecular Weight	258.50
Molar Refractivity	57.28

Pubchem ID	59423588
InChI Key	DNIKNSRKTYSIMS-UHFFFAOYSA-N
MDL Number	MFCD13193317

Aromatic Heavy Atoms Number	10
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.82
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.0
Ghose	None
GI Absorption	High
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	0.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.19 cm/s
Log Po/w (iLOGP)	1.98
Log Po/w (MLOGP)	2.92
Log Po/w (SILICOS-IT)	3.87
Log Po/w (WLOGP)	2.94
Log Po/w (XLOGP3)	2.37
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	0
Synthetic Accessibility	1.7
Topological Polar Surface Area	32.86 Å²
Veber	0.0

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