Molecule

ID:115253

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO
Molecular Mass
207.6562
Exact Mass
207.04509163
Charge
0
InChI
InChI=1S/C11H10ClNO/c1-8-2-4-9(5-3-8)11-6-10(7-12)13-14-11/h2-6H,7H2,1H3
InChIKey
QCTXUUBTLPQWGS-UHFFFAOYSA-N
Canonic Smiles
ClCc1noc(c1)c1ccc(cc1)C
Isomeric Smiles
c1(cc(no1)CCl)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0871525
LogD (pH = 7.4)
3.087153
Log P
3.087153
Molar Refractivity
56.8996
Polarizability
22.681227
Polar Surface Area
26.03
Rotatable Bonds
2
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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