Molecule

ID:79816

General Information
Structure
MolImage
Molecular Formula
C₂₇H₁₉ClN₃O₂P
Molecular Mass
483.885421
Exact Mass
483.09034117
Charge
0
InChI
InChI=1S/C27H19ClN3O2P/c28-27-26(31(32)33)25(23-18-10-11-19-24(23)29-27)30-34(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
InChIKey
IBMWPENGWKZCNN-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(Cl)nc2c(c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1)cccc2
Isomeric Smiles
N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1c2c(nc(c1[N+](=O)[O-])Cl)cccc2
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
8.2126
LogD (pH = 7.4)
8.2126
Log P
8.2126
Molar Refractivity
138.9235
Polarizability
53.43438
Polar Surface Area
71.07
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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