Molecule

ID:85797

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅ClN₂O₃
Molecular Mass
330.7656
Exact Mass
330.07712003
Charge
0
InChI
InChI=1S/C17H15ClN2O3/c18-15-7-5-14(6-8-15)17(13-3-4-13)19-23-11-12-1-9-16(10-2-12)20(21)22/h1-2,5-10,13H,3-4,11H2
InChIKey
LZLLLIXVUHWOKV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)/C(=N/OCc1ccc(cc1)[N+](=O)[O-])/C1CC1
Isomeric Smiles
[N+](=O)(c1ccc(cc1)CO/N=C(\C1CC1)/c1ccc(cc1)Cl)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.966441
LogD (pH = 7.4)
4.9666295
Log P
4.966632
Molar Refractivity
88.9061
Polarizability
33.54708
Polar Surface Area
67.41
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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