Molecule

ID:110279

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO
Molecular Mass
175.22702
Exact Mass
175.09971404
Charge
0
InChI
InChI=1S/C11H13NO/c13-11-7-4-8-12(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKey
LVUQCTGSDJLWCE-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN1Cc1ccccc1
Isomeric Smiles
O=C1CCCN1Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3685398
LogD (pH = 7.4)
1.3685399
Log P
1.3685399
Molar Refractivity
51.7672
Polarizability
20.014338
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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