Sodium 4-Aminosalicylate Dihydrate

Cat. No.: PI6018195

Product Details Other Identifiers Computed Properties

CAS	6018-19-5
Synonyms	Sodium 4-amino-2-hydroxybenzoate dihydrate
Purity	98%
Molecular Formula	C7H10NNaO5
Molecular Weight	211.15
Molar Refractivity	43.98

Pubchem ID	16211148
InChI Key	GMUQJDAYXZXBOT-UHFFFAOYSA-M
MDL Number	MFCD00151044

Hydrogen Bond Donor Count	4.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	1
Topological Polar Surface Area	104.84 Å²
Heavy Atom Count	14
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.0
Log Po/w (iLOGP)	-4.25
Log Po/w (XLOGP3)	0.37
Log Po/w (WLOGP)	-0.78
Log Po/w (MLOGP)	-2.35
Log Po/w (SILICOS-IT)	0.02
Consensus Log Po/w	-1.4
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.33 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	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.28

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