Molecule

ID:91174

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O
Molecular Mass
202.25236
Exact Mass
202.11061308
Charge
0
InChI
InChI=1S/C12H14N2O/c1-9-11(8-13-2)12(14-15-9)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3
InChIKey
IEMWBRRLWLUKQI-UHFFFAOYSA-N
Canonic Smiles
CNCc1c(C)onc1c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)c(c(o1)C)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.96883196
LogD (pH = 7.4)
0.38903475
Log P
2.128777
Molar Refractivity
60.6619
Polarizability
24.269135
Polar Surface Area
38.06
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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