Molecule

ID:55010

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Cl₂NO
Molecular Mass
230.09056
Exact Mass
229.00611927
Charge
0
InChI
InChI=1S/C10H8ClNO.ClH/c11-6-7-3-4-9(13)10-8(7)2-1-5-12-10;/h1-5,13H,6H2;1H
InChIKey
BDQGTRWOFVSOQX-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(c2c1cccn2)O.Cl
Isomeric Smiles
c12c(c(ccc2O)CCl)cccn1.Cl
Calculated Properties
JChem
Acid pKa
8.826651
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3762045
LogD (pH = 7.4)
2.3970757
Log P
2.4145772
Molar Refractivity
51.8271
Polarizability
21.203657
Polar Surface Area
33.12
Rotatable Bonds
1
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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