Molecule
ID:121195
General Information
Molecular Formula
C₇H₁₀ClN
Molecular Mass
143.614
Exact Mass
143.05017701
Charge
0
InChI
InChI=1S/C7H10ClN/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7H2
InChIKey
VBNLJZUMBKLGCV-UHFFFAOYSA-N
Canonic Smiles
ClCCCn1cccc1
Isomeric Smiles
n1(cccc1)CCCCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.0012555
LogD (pH = 7.4)
2.0012555
Log P
2.0012555
Molar Refractivity
39.9222
Polarizability
15.294186
Polar Surface Area
4.93
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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