N1-(4-Fluorobenzyl)-3-nitrobenzene-1,4-diamine

Name: N1-(4-Fluorobenzyl)-3-nitrobenzene-1,4-diamine
SKU: PI150812218
Rating: 5 (1 reviews)

Cat. No.: PI150812218

Product Details Other Identifiers Computed Properties

CAS	150812-21-8
Purity	97%
Molecular Formula	C13H12FN3O2
Molecular Weight	261.25
Molar Refractivity	73.42

Pubchem ID	20096587
InChI Key	XTDZJOIEYRRRGJ-UHFFFAOYSA-N
MDL Number	MFCD12828054

Aromatic Heavy Atoms Number	12
BBB Permeant	No
Bioavailability Score	0.55
Brenk	3.0 alert
Consensus Log Po/w	2.09
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Egan	0.0
Fraction Csp3	0.08
Ghose	None
GI Absorption	High
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	2.0
Leadlikeness	0.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.91 cm/s
Log Po/w (iLOGP)	2.08
Log Po/w (MLOGP)	2.0
Log Po/w (SILICOS-IT)	0.56
Log Po/w (WLOGP)	3.01
Log Po/w (XLOGP3)	2.79
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	4
Synthetic Accessibility	2.31
Topological Polar Surface Area	83.87 Å²
Veber	0.0

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