Molecule

ID:84549

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₂ClN₃O₂
Molecular Mass
361.78118
Exact Mass
361.06180432
Charge
0
InChI
InChI=1S/C20H12ClN3O2/c21-18-14(8-5-11-22-18)19-23-24-20(26-19)17-12-6-1-3-9-15(12)25-16-10-4-2-7-13(16)17/h1-11,17H
InChIKey
LCPOIAIMZRGJHC-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1c1nnc(o1)C1c2ccccc2Oc2c1cccc2
Isomeric Smiles
o1c(nnc1C1c2c(cccc2)Oc2ccccc12)c1cccnc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.74724
LogD (pH = 7.4)
3.7472413
Log P
3.7472415
Molar Refractivity
109.8093
Polarizability
37.71524
Polar Surface Area
61.04
Rotatable Bonds
2
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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