Molecule

ID:136703

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₂
Molecular Mass
242.27316
Exact Mass
242.1055277
Charge
0
InChI
InChI=1S/C14H14N2O2/c1-15(2)10-9-12-8-7-11-5-3-4-6-13(11)14(12)16(17)18/h3-10H,1-2H3
InChIKey
ADLFDROCPXPTRU-UHFFFAOYSA-N
Canonic Smiles
CN(/C=C/c1ccc2c(c1[N+](=O)[O-])cccc2)C
Isomeric Smiles
CN(C)/C=C/c1ccc2ccccc2c1[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4007903
LogD (pH = 7.4)
2.9603906
Log P
3.2274437
Molar Refractivity
73.2237
Polarizability
28.048906
Polar Surface Area
49.06
Rotatable Bonds
3
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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