Chrysanthemic acid

Cat. No.: PI10453891

Product Details Other Identifiers Computed Properties

CAS	10453-89-1
Synonyms	2,2-Dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid
Purity	90% mix TBC as stabilizer
Molecular Formula	C10H16O2
Molecular Weight	168.23
Molar Refractivity	49.11

Pubchem ID	2743
InChI Key	XLOPRKKSAJMMEW-UHFFFAOYSA-N
MDL Number	MFCD00057698

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	2
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.7
Log Po/w (iLOGP)	1.83
Log Po/w (XLOGP3)	3.43
Log Po/w (WLOGP)	2.31
Log Po/w (MLOGP)	2.08
Log Po/w (SILICOS-IT)	1.75
Consensus Log Po/w	2.28
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-4.89 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.85
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	3.17

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