Molecule

ID:89627

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NO
Molecular Mass
187.23772
Exact Mass
187.09971404
Charge
0
InChI
InChI=1S/C12H13NO/c1-9-7-11(8-13)12(14-9)10-5-3-2-4-6-10/h2-7H,8,13H2,1H3
InChIKey
PQZVRVFUCJMCRZ-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(oc1c1ccccc1)C
Isomeric Smiles
o1c(cc(c1c1ccccc1)CN)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.96358734
LogD (pH = 7.4)
0.098767444
Log P
2.0060475
Molar Refractivity
57.2082
Polarizability
23.349802
Polar Surface Area
39.16
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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