Molecule

ID:83753

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆Cl₃N₅O
Molecular Mass
436.72224
Exact Mass
435.0420432
Charge
0
InChI
InChI=1S/C19H16Cl3N5O/c1-26(2)12-16(17(28)19(20,21)22)18-23-24-25-27(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKey
LAPZZYRSWUQZBW-UHFFFAOYSA-N
Canonic Smiles
CN(/C=C(\C(=O)C(Cl)(Cl)Cl)/c1nnnn1c1ccc(cc1)c1ccccc1)C
Isomeric Smiles
n1(c2ccc(cc2)c2ccccc2)c(nnn1)/C(=C/N(C)C)/C(=O)C(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
4.922118
LogD (pH = 7.4)
4.9331365
Log P
4.9332786
Molar Refractivity
116.062
Polarizability
44.198444
Polar Surface Area
63.91
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
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Molecule Details
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References
Bioactivity
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