Molecule

ID:89658

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₂
Molecular Mass
214.22
Exact Mass
214.07422757
Charge
0
InChI
InChI=1S/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2
InChIKey
MNHKUCBXXMFQDM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)Cc1ccncc1
Isomeric Smiles
n1ccc(cc1)Cc1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.602185
LogD (pH = 7.4)
2.7842681
Log P
2.7873516
Molar Refractivity
59.9588
Polarizability
22.641
Polar Surface Area
56.03
Rotatable Bonds
3
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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