Molecule

ID:60621

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO
Molecular Mass
189.2536
Exact Mass
189.11536411
Charge
0
InChI
InChI=1S/C12H15NO/c14-12-8-4-5-9-13(12)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKey
MLEGMEBCXGDFQT-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCN1Cc1ccccc1
Isomeric Smiles
C1CN(C(=O)CC1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8131083
LogD (pH = 7.4)
1.8131086
Log P
1.8131086
Molar Refractivity
56.3682
Polarizability
21.858698
Polar Surface Area
20.31
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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