Molecule

ID:29613

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClN
Molecular Mass
197.70444
Exact Mass
197.0971272
Charge
0
InChI
InChI=1S/C11H16ClN/c1-3-9(2)13-8-10-4-6-11(12)7-5-10/h4-7,9,13H,3,8H2,1-2H3
InChIKey
DZPDICODYXMPSW-UHFFFAOYSA-N
Canonic Smiles
CCC(NCc1ccc(cc1)Cl)C
Isomeric Smiles
N(Cc1ccc(Cl)cc1)C(CC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.22162443
LogD (pH = 7.4)
1.0391172
Log P
3.4315448
Molar Refractivity
57.8022
Polarizability
22.928875
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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