Molecule
ID:19583
General Information
Molecular Formula
C₁₂H₁₀ClNO
Molecular Mass
219.6669
Exact Mass
219.04509163
Charge
0
InChI
InChI=1S/C12H10ClNO/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8H,14H2
InChIKey
LVFXXXPXOSABGF-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1Oc1ccccc1)Cl
Isomeric Smiles
c1(Oc2ccccc2)c(N)cccc1Cl
Calculated Properties
JChem
Acid pKa
19.966406
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2482934
LogD (pH = 7.4)
3.2486472
Log P
3.2486517
Molar Refractivity
61.804
Polarizability
23.680082
Polar Surface Area
35.25
Rotatable Bonds
2
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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