Molecule
ID:86444
General Information
Molecular Formula
C₆H₈ClN
Molecular Mass
129.58742
Exact Mass
129.03452694
Charge
0
InChI
InChI=1S/C6H8ClN/c1-6(7)4-2-3-5-8/h1-4H2
InChIKey
BXEGNRGBDQVUTJ-UHFFFAOYSA-N
Canonic Smiles
N#CCCCC(=C)Cl
Isomeric Smiles
N#CCCCC(=C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6457126
LogD (pH = 7.4)
1.6457126
Log P
1.6457126
Molar Refractivity
34.9672
Polarizability
13.216868
Polar Surface Area
23.79
Rotatable Bonds
3
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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