Molecule

ID:30207

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO
Molecular Mass
189.2536
Exact Mass
189.11536411
Charge
0
InChI
InChI=1S/C12H15NO/c1-10-8-11(9-14)4-5-12(10)13-6-2-3-7-13/h4-5,8-9H,2-3,6-7H2,1H3
InChIKey
OOQCMWBRBGSKQX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)C)N1CCCC1
Isomeric Smiles
c1(N2CCCC2)c(cc(C=O)cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7038684
LogD (pH = 7.4)
2.7128947
Log P
2.7130108
Molar Refractivity
59.6528
Polarizability
21.765347
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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