Molecule
ID:86485
General Information
Molecular Formula
C₁₀H₁₆ClN
Molecular Mass
185.69374
Exact Mass
185.0971272
Charge
0
InChI
InChI=1S/C10H16ClN/c1-10(11)8-6-4-2-3-5-7-9-12/h1-8H2
InChIKey
GDBQXEOLOCZOQW-UHFFFAOYSA-N
Canonic Smiles
N#CCCCCCCCC(=C)Cl
Isomeric Smiles
N#CCCCCCCCC(=C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4239874
LogD (pH = 7.4)
3.4239874
Log P
3.4239874
Molar Refractivity
53.3712
Polarizability
20.570858
Polar Surface Area
23.79
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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