Molecule

ID:56563

General Information
Structure
Molecular Formula
C₁₉H₁₅Cl₂NO₂
Molecular Mass
360.2339
Exact Mass
359.04798409
Charge
0
InChI
InChI=1S/C19H15Cl2NO2/c1-2-10-24-13-8-6-12(7-9-13)17-11-15(19(21)23)14-4-3-5-16(20)18(14)22-17/h3-9,11H,2,10H2,1H3
InChIKey
VRLRXHIOSCHAGD-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(Cl)ccc2
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)OCCC)C(=O)Cl)cccc2Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.6805916
LogD (pH = 7.4)
5.6805925
Log P
5.6805925
Molar Refractivity
96.3988
Polarizability
39.732693
Polar Surface Area
39.19
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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