Molecule

ID:19816

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂ClNO
Molecular Mass
233.69348
Exact Mass
233.06074169
Charge
0
InChI
InChI=1S/C13H12ClNO/c1-9-6-7-13(11(15)8-9)16-12-5-3-2-4-10(12)14/h2-8H,15H2,1H3
InChIKey
PYVDQRNGHKDDPJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)N)Oc1ccccc1Cl
Isomeric Smiles
O(c1c(cc(cc1)C)N)c1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7605677
LogD (pH = 7.4)
3.7620542
Log P
3.762073
Molar Refractivity
66.8452
Polarizability
25.443426
Polar Surface Area
35.25
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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