Molecule

ID:21054

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Cl₂NO
Molecular Mass
234.12232
Exact Mass
233.0374194
Charge
0
InChI
InChI=1S/C10H12ClNO.ClH/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10;/h1-3,6,10,12H,4-5,7H2;1H
InChIKey
PLZHYTNQTCPVLC-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)OC1CNCC1.Cl
Isomeric Smiles
N1CCC(Oc2cccc(c2)Cl)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2266364
LogD (pH = 7.4)
-0.73122066
Log P
2.0034177
Molar Refractivity
52.617
Polarizability
21.033377
Polar Surface Area
21.26
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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