Molecule

ID:18573

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₂NO
Molecular Mass
232.10644
Exact Mass
231.02176934
Charge
0
InChI
InChI=1S/C10H11Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h4-5,13-14H,2-3H2,1H3
InChIKey
FWQUXDPMJYZPNA-UHFFFAOYSA-N
Canonic Smiles
CC1CCc2c(N1)c(O)c(cc2Cl)Cl
Isomeric Smiles
c12c(c(cc(c1O)Cl)Cl)CCC(N2)C
Calculated Properties
JChem
Acid pKa
3.5785472
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.2489514
LogD (pH = 7.4)
3.1961572
Log P
3.2515802
Molar Refractivity
60.1717
Polarizability
22.432375
Polar Surface Area
32.26
Rotatable Bonds
0
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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