Molecule

ID:117293

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClN
Molecular Mass
147.64576
Exact Mass
147.08147713
Charge
0
InChI
InChI=1S/C7H14ClN/c1-9-5-3-2-4-7(9)6-8/h7H,2-6H2,1H3
InChIKey
FGMRHGUEOYXVMX-UHFFFAOYSA-N
Canonic Smiles
ClCC1CCCCN1C
Isomeric Smiles
N1(C(CCl)CCCC1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.0574639
LogD (pH = 7.4)
0.70332235
Log P
1.7647926
Molar Refractivity
41.1436
Polarizability
16.235746
Polar Surface Area
3.24
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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