Molecule

ID:54774

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O₂
Molecular Mass
230.26246
Exact Mass
230.1055277
Charge
0
InChI
InChI=1S/C13H14N2O2/c1-9-14-12(13(16)17-9)8-10-4-6-11(7-5-10)15(2)3/h4-8H,1-3H3/b12-8-
InChIKey
UZJOKNWPCVCPLB-WQLSENKSSA-N
Canonic Smiles
CC1=N/C(=C\c2ccc(cc2)N(C)C)/C(=O)O1
Isomeric Smiles
C\1(=C/c2ccc(N(C)C)cc2)/N=C(OC1=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0604806
LogD (pH = 7.4)
2.0938058
Log P
2.0942476
Molar Refractivity
67.5867
Polarizability
24.946959
Polar Surface Area
41.9
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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