(3-Chloropyrazin-2-yl)methanamine hydrochloride

Cat. No.: PI939412869

Product Details Other Identifiers Computed Properties

CAS	939412-86-9
Purity	95%
Molecular Formula	C5H7Cl2N3
Molecular Weight	180.04
Molar Refractivity	41.68

Pubchem ID	42614233
InChI Key	YYVVOYJKQZWKFS-UHFFFAOYSA-N
MDL Number	MFCD09910171

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	1
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	10
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.2
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	0.44
Log Po/w (WLOGP)	1.24
Log Po/w (MLOGP)	-0.39
Log Po/w (SILICOS-IT)	1.18
Consensus Log Po/w	0.49
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.09 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.96

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