Amino(imino)methanesulfonic acid

Name: Amino(imino)methanesulfonic acid
SKU: PI1184903
Rating: 5 (1 reviews)

Cat. No.: PI1184903

Product Details Other Identifiers Computed Properties

CAS	1184-90-3
Purity	95%
Molecular Formula	CH4N2O3S
Molecular Weight	124.12
Molar Refractivity	23.75

Pubchem ID	9877361
InChI Key	AOPRFYAPABFRPU-UHFFFAOYSA-N
MDL Number	MFCD19203404

Aromatic Heavy Atoms Number	0
BBB Permeant	No
Bioavailability Score	0.55
Brenk	3.0 alert
Consensus Log Po/w	-1.1
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	7
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	3.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-8.19 cm/s
Log Po/w (iLOGP)	-1.44
Log Po/w (MLOGP)	-2.27
Log Po/w (SILICOS-IT)	-0.05
Log Po/w (WLOGP)	-0.15
Log Po/w (XLOGP3)	-1.59
Muegge	2.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	1
Synthetic Accessibility	3.0
Topological Polar Surface Area	112.62 Å²
Veber	0.0

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