Molecule
ID:19574
General Information
Molecular Formula
C₁₃H₁₂ClNO
Molecular Mass
233.69348
Exact Mass
233.06074169
Charge
0
InChI
InChI=1S/C13H12ClNO/c14-11-7-4-8-12(15)13(11)16-9-10-5-2-1-3-6-10/h1-8H,9,15H2
InChIKey
CFYGYYBYROQCQP-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1OCc1ccccc1)Cl
Isomeric Smiles
c1(OCc2ccccc2)c(N)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3087773
LogD (pH = 7.4)
3.3150854
Log P
3.3151665
Molar Refractivity
66.639
Polarizability
25.459433
Polar Surface Area
35.25
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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