4-Hydroxy-3-nitrobenzaldehyde

Name: 4-Hydroxy-3-nitrobenzaldehyde
SKU: PI3011345
Rating: 5 (1 reviews)

Cat. No.: PI3011345

Product Details Other Identifiers Computed Properties

CAS	3011-34-5
Purity	97%
Molecular Formula	C7H5NO4
Linear Formula	C6H3OHNO2CHO
Molecular Weight	167.12
Molar Refractivity	42.67

Pubchem ID	18169
InChI Key	YTHJCZRFJGXPTL-UHFFFAOYSA-N
MDL Number	MFCD00007117

Aromatic Heavy Atoms Number	6
BBB Permeant	No
Bioavailability Score	0.55
Brenk	3.0 alert
Consensus Log Po/w	0.51
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.0
Ghose	None
GI Absorption	High
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.27 cm/s
Log Po/w (iLOGP)	0.89
Log Po/w (MLOGP)	-0.31
Log Po/w (SILICOS-IT)	-0.64
Log Po/w (WLOGP)	1.11
Log Po/w (XLOGP3)	1.48
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	1.61
Topological Polar Surface Area	83.12 Å²
Veber	0.0

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