Molecule

ID:20160

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO
Molecular Mass
199.24842
Exact Mass
199.09971404
Charge
0
InChI
InChI=1S/C13H13NO/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9H,14H2,1H3
InChIKey
VPCGOYHSWIYEMO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Oc1ccc(cc1)N
Isomeric Smiles
O(c1ccc(N)cc1)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1302109
LogD (pH = 7.4)
3.1576667
Log P
3.1580284
Molar Refractivity
62.0404
Polarizability
23.587791
Polar Surface Area
35.25
Rotatable Bonds
2
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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