Molecule

ID:70670

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O₃
Molecular Mass
238.62718
Exact Mass
238.01451977
Charge
0
InChI
InChI=1S/C10H7ClN2O3/c1-12-7-5-3-2-4-6(7)8(11)9(10(12)14)13(15)16/h2-5H,1H3
InChIKey
KPDOVJBEKCRATD-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(Cl)c2ccccc2n(c1=O)C
Isomeric Smiles
n1(c(=O)c(c(c2ccccc12)Cl)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3855598
LogD (pH = 7.4)
1.3855598
Log P
1.3855598
Molar Refractivity
58.4008
Polarizability
21.836674
Polar Surface Area
63.45
Rotatable Bonds
1
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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