Molecule

ID:31383

General Information
Structure
Molecular Formula
C₁₂H₁₅NO
Molecular Mass
189.2536
Exact Mass
189.11536411
Charge
0
InChI
InChI=1S/C12H15NO/c1-3-13-9(2)6-11-7-10(8-14)4-5-12(11)13/h4-5,7-9H,3,6H2,1-2H3
InChIKey
ZRYZVTDUVYAGGX-UHFFFAOYSA-N
Canonic Smiles
CCN1C(C)Cc2c1ccc(c2)C=O
Isomeric Smiles
N1(c2c(CC1C)cc(C=O)cc2)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6052196
LogD (pH = 7.4)
2.6070402
Log P
2.6070635
Molar Refractivity
59.5476
Polarizability
21.763224
Polar Surface Area
20.31
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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