Molecule

ID:56367

General Information
Structure
Molecular Formula
C₁₈H₁₃BrClNO
Molecular Mass
374.65892
Exact Mass
372.98690372
Charge
0
InChI
InChI=1S/C18H13BrClNO/c1-10-3-4-12(7-11(10)2)17-9-15(18(20)22)14-8-13(19)5-6-16(14)21-17/h3-9H,1-2H3
InChIKey
IGDVPNKDDHJMRN-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)c(cc(n2)c1ccc(c(c1)C)C)C(=O)Cl
Isomeric Smiles
c1(c2c(nc(c1)c1cc(c(cc1)C)C)ccc(c2)Br)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.15048
LogD (pH = 7.4)
6.150484
Log P
6.150484
Molar Refractivity
93.5634
Polarizability
37.81496
Polar Surface Area
29.96
Rotatable Bonds
2
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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