Molecule

ID:130367

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈ClN₂O₂P
Molecular Mass
360.774481
Exact Mass
360.07944214
Charge
0
InChI
InChI=1S/C18H18ClN2O2P/c1-24(2,23)12-21-16-9-8-14(19)10-15(16)18(20-11-17(21)22)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3
InChIKey
JMYCGCXYZZHWMO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)C(=NCC(=O)N2CP(=O)(C)C)c1ccccc1
Isomeric Smiles
Clc1cc2c(cc1)N(CP(=O)(C)C)C(=O)CN=C2c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.566522
LogD (pH = 7.4)
1.5686038
Log P
1.5686303
Molar Refractivity
97.0696
Polarizability
37.294098
Polar Surface Area
49.74
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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