Molecule

ID:7817

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO
Molecular Mass
199.24842
Exact Mass
199.09971404
Charge
0
InChI
InChI=1S/C13H13NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2
InChIKey
CCAZAGUSBMVSAR-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
c1cc(ccc1Oc1ccccc1)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.38649243
LogD (pH = 7.4)
0.56915814
Log P
2.5993013
Molar Refractivity
60.7722
Polarizability
24.067823
Polar Surface Area
35.25
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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