Molecule

ID:41236

General Information
Structure
Molecular Formula
C₁₃H₁₂ClNO
Molecular Mass
233.69348
Exact Mass
233.06074169
Charge
0
InChI
InChI=1S/C13H12ClNO/c1-16-12-5-3-11(4-6-12)13-7-2-10(8-14)9-15-13/h2-7,9H,8H2,1H3
InChIKey
GILJEKJFSNXZHJ-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(nc1)c1ccc(cc1)OC
Isomeric Smiles
n1c(c2ccc(cc2)OC)ccc(c1)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1968248
LogD (pH = 7.4)
3.2179434
Log P
3.21822
Molar Refractivity
64.9954
Polarizability
26.559908
Polar Surface Area
22.12
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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