Molecule

ID:92251

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClN
Molecular Mass
147.64576
Exact Mass
147.08147713
Charge
0
InChI
InChI=1S/C7H14ClN/c8-4-7-9-5-2-1-3-6-9/h1-7H2
InChIKey
WNRWEBKEQARBKV-UHFFFAOYSA-N
Canonic Smiles
ClCCN1CCCCC1
Isomeric Smiles
N1(CCCCC1)CCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.1089522
LogD (pH = 7.4)
0.6530636
Log P
1.7050254
Molar Refractivity
41.4734
Polarizability
16.23566
Polar Surface Area
3.24
Rotatable Bonds
2
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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