Molecule

ID:132245

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
190.21832199
Exact Mass
190.098205
Charge
0
InChI
InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3/i9+2
InChIKey
VEQOALNAAJBPNY-FOQJRBATSA-N
Canonic Smiles
O=c1c[14c](n(n1c1ccccc1)C)C
Isomeric Smiles
C[14c]1cc(=O)n(n1C)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2189686
LogD (pH = 7.4)
1.2189718
Log P
1.2189718
Molar Refractivity
56.4168
Polarizability
20.892574
Polar Surface Area
23.55
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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