Molecule

ID:90406

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO
Molecular Mass
189.2536
Exact Mass
189.11536411
Charge
0
InChI
InChI=1S/C12H15NO/c14-12-7-4-9-13(12)10-8-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKey
GKZJJXFFNOSPHJ-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN1CCc1ccccc1
Isomeric Smiles
N1(C(=O)CCC1)CCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6572009
LogD (pH = 7.4)
1.657201
Log P
1.657201
Molar Refractivity
56.5222
Polarizability
21.860802
Polar Surface Area
20.31
Rotatable Bonds
3
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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