Molecule

ID:128359

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₂
Molecular Mass
181.2316
Exact Mass
181.11027873
Charge
0
InChI
InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3/t7-,9+/m0/s1
InChIKey
MPSNEAHFGOEKBI-IONNQARKSA-N
Canonic Smiles
COC(=O)C1=CC[C@@H]2N([C@@H]1CC2)C
Isomeric Smiles
CN1[C@@H]2CC[C@@H]1CC=C2C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.6385471
LogD (pH = 7.4)
0.12365511
Log P
1.1741343
Molar Refractivity
50.7424
Polarizability
19.742533
Polar Surface Area
29.54
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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