Molecule

ID:52631

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO
Molecular Mass
175.22702
Exact Mass
175.09971404
Charge
0
InChI
InChI=1S/C11H13NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
DHGMDHQNUNRMIN-UHFFFAOYSA-N
Canonic Smiles
O=C1CCN(C1)Cc1ccccc1
Isomeric Smiles
N1(CC(=O)CC1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
17.855396
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1334136
LogD (pH = 7.4)
1.6478342
Log P
1.6605932
Molar Refractivity
52.3767
Polarizability
20.413202
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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