4-Fluorobenzene-1,2-diamine

Name: 4-Fluorobenzene-1,2-diamine
SKU: PI367317
Rating: 5 (1 reviews)

Cat. No.: PI367317

Product Details Other Identifiers Computed Properties

CAS	367-31-7
Purity	97%
Molecular Formula	C6H7FN2
Molecular Weight	126.13
Molar Refractivity	35.21

Pubchem ID	164584
InChI Key	KWEWNOOZQVJONF-UHFFFAOYSA-N
MDL Number	MFCD00042228

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	1.0
Rotatable Bond Count	0
Topological Polar Surface Area	52.04 Å²
Heavy Atom Count	9
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.0
Log Po/w (iLOGP)	1.0
Log Po/w (XLOGP3)	0.75
Log Po/w (WLOGP)	1.43
Log Po/w (MLOGP)	1.24
Log Po/w (SILICOS-IT)	0.85
Consensus Log Po/w	1.05
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.54 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	1.0

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