Molecule

ID:134754

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O
Molecular Mass
202.2232978
Exact Mass
202.0890328
Charge
0
InChI
InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2/i13+1,14+1
InChIKey
HLBLWEWZXPIGSM-SBAVNFSASA-N
Canonic Smiles
[15NH2]c1ccc(cc1)Oc1ccc(cc1)[15NH2]
Isomeric Smiles
c1cc(ccc1[15NH2])Oc1ccc(cc1)[15NH2]
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.7590333
LogD (pH = 7.4)
1.814933
Log P
1.8156811
Molar Refractivity
61.6996
Polarizability
22.94458
Polar Surface Area
61.27
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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