Molecule

ID:28960

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClN
Molecular Mass
195.68856
Exact Mass
195.08147713
Charge
0
InChI
InChI=1S/C11H14ClN/c1-8-10(12)3-2-4-11(8)13-7-9-5-6-9/h2-4,9,13H,5-7H2,1H3
InChIKey
LLXUSOJALXZXPR-UHFFFAOYSA-N
Canonic Smiles
Cc1c(NCC2CC2)cccc1Cl
Isomeric Smiles
c1(c(NCC2CC2)cccc1Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2915413
LogD (pH = 7.4)
3.3433647
Log P
3.3440673
Molar Refractivity
58.0398
Polarizability
21.730116
Polar Surface Area
12.03
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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