Molecule

ID:64102

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂Cl₂N₂
Molecular Mass
243.13238
Exact Mass
242.03775375
Charge
0
InChI
InChI=1S/C11H11ClN2.ClH/c12-8-11-13-6-7-14(11)9-10-4-2-1-3-5-10;/h1-7H,8-9H2;1H
InChIKey
IOOCHXMDSFPOGL-UHFFFAOYSA-N
Canonic Smiles
ClCc1nccn1Cc1ccccc1.Cl
Isomeric Smiles
n1(c(ncc1)CCl)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9517338
LogD (pH = 7.4)
2.4481554
Log P
2.4633336
Molar Refractivity
57.716
Polarizability
22.151222
Polar Surface Area
17.82
Rotatable Bonds
3
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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