4-Nitrophenyl phosphorodichloridate

Name: 4-Nitrophenyl phosphorodichloridate
SKU: PI777526
Rating: 5 (1 reviews)

Cat. No.: PI777526

Product Details Other Identifiers Computed Properties

CAS	777-52-6
Purity	96%
Molecular Formula	C6H4Cl2NO4P
Molecular Weight	255.98
Molar Refractivity	55.2

Pubchem ID	69898
InChI Key	NCPBESHYZRJICR-UHFFFAOYSA-N
MDL Number	MFCD00007315

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	3
Topological Polar Surface Area	81.93 Å²
Heavy Atom Count	14
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.0
Log Po/w (iLOGP)	1.53
Log Po/w (XLOGP3)	2.81
Log Po/w (WLOGP)	3.56
Log Po/w (MLOGP)	0.84
Log Po/w (SILICOS-IT)	-0.3
Consensus Log Po/w	1.69
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.87 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	3.0 alert
Leadlikeness	0.0
Synthetic Accessibility	2.65

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