Adamantane-1-carboxylic acid

Name: Adamantane-1-carboxylic acid
SKU: PI828513
Rating: 5 (1 reviews)

Catalog NumberPI828513

CAS Number828-51-3

CategoryBlood Glucose Regulators Intermediates

Product Details

Purity	98%
Molecular Formula	C11H16O2
Molecular Weight	180.24
Molar Refractivity	50.16

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Other Identifiers

Pubchem ID	13235
InChI Key	JIMXXGFJRDUSRO-UHFFFAOYSA-N
MDL Number	MFCD00074720

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	Yes
Bioavailability Score	0.56
Brenk	0.0 alert
Consensus Log Po/w	2.24
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.91
Ghose	None
GI Absorption	High
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.54 cm/s
Log Po/w (iLOGP)	1.84
Log Po/w (MLOGP)	2.48
Log Po/w (SILICOS-IT)	1.95
Log Po/w (WLOGP)	2.29
Log Po/w (XLOGP3)	2.62
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	1
Synthetic Accessibility	3.76
Topological Polar Surface Area	37.3 Å²
Veber	0.0

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