Molecule

ID:76482

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO
Molecular Mass
211.25912
Exact Mass
211.09971404
Charge
0
InChI
InChI=1S/C14H13NO/c16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,15,16)
InChIKey
LKQUCICFTHBFAL-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)NCc1ccccc1
Isomeric Smiles
N(C(=O)c1ccccc1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
15.415104
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7720351
LogD (pH = 7.4)
2.7720354
Log P
2.7720354
Molar Refractivity
64.6457
Polarizability
24.613049
Polar Surface Area
29.1
Rotatable Bonds
3
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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