Molecule

ID:21652

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O
Molecular Mass
200.23648
Exact Mass
200.09496301
Charge
0
InChI
InChI=1S/C12H12N2O/c13-14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8,13H2,(H,14,15)
InChIKey
FLHXVKZDKJAVMB-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)Cc1cccc2c1cccc2
Isomeric Smiles
c1(c2c(ccc1)cccc2)CC(=O)NN
Calculated Properties
JChem
Acid pKa
13.160953
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4952797
LogD (pH = 7.4)
1.4970295
Log P
1.4970526
Molar Refractivity
60.1221
Polarizability
24.197609
Polar Surface Area
55.12
Rotatable Bonds
2
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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