Molecule

ID:82847

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃Cl₂N₃O₂
Molecular Mass
338.18862
Exact Mass
337.03848203
Charge
0
InChI
InChI=1S/C15H13Cl2N3O2/c16-12-13(17)19(9-18-12)7-3-4-8-20-14(21)10-5-1-2-6-11(10)15(20)22/h1-2,5-6,9H,3-4,7-8H2
InChIKey
KOHHCGDBJIPFPM-UHFFFAOYSA-N
Canonic Smiles
O=C1N(CCCCn2cnc(c2Cl)Cl)C(=O)c2c1cccc2
Isomeric Smiles
N1(C(=O)c2ccccc2C1=O)CCCCn1c(c(Cl)nc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.542987
LogD (pH = 7.4)
2.544605
Log P
2.5446255
Molar Refractivity
86.334
Polarizability
31.814722
Polar Surface Area
55.2
Rotatable Bonds
5
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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