Molecule

ID:29627

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₂N
Molecular Mass
232.1495
Exact Mass
231.05815485
Charge
0
InChI
InChI=1S/C11H15Cl2N/c1-3-8(2)14-7-9-4-10(12)6-11(13)5-9/h4-6,8,14H,3,7H2,1-2H3
InChIKey
OVWFKVAMEQTEKS-UHFFFAOYSA-N
Canonic Smiles
CCC(NCc1cc(Cl)cc(c1)Cl)C
Isomeric Smiles
c1c(cc(cc1Cl)CNC(CC)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.84534603
LogD (pH = 7.4)
1.8350006
Log P
4.035589
Molar Refractivity
62.607
Polarizability
24.786793
Polar Surface Area
12.03
Rotatable Bonds
4
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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