Molecule

ID:18933

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₄ClN₃O
Molecular Mass
335.78696
Exact Mass
335.08253976
Charge
0
InChI
InChI=1S/C19H14ClN3O/c1-24-15-9-5-8-14(10-15)17-12-19-21-16(11-18(20)23(19)22-17)13-6-3-2-4-7-13/h2-12H,1H3
InChIKey
SWWUWCABWYBJFW-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1nn2c(c1)nc(cc2Cl)c1ccccc1
Isomeric Smiles
n12c(nc(cc2Cl)c2ccccc2)cc(n1)c1cc(OC)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.880487
LogD (pH = 7.4)
4.880508
Log P
4.880508
Molar Refractivity
104.5711
Polarizability
38.767548
Polar Surface Area
39.42
Rotatable Bonds
3
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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