Molecule

ID:74401

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇Cl₂N
Molecular Mass
198.13328
Exact Mass
197.07380491
Charge
0
InChI
InChI=1S/C8H16ClN.ClH/c9-5-8-10-6-3-1-2-4-7-10;/h1-8H2;1H
InChIKey
ZQDSOUPBYJIPNM-UHFFFAOYSA-N
Canonic Smiles
ClCCN1CCCCCC1.Cl
Isomeric Smiles
N1(CCCCCC1)CCCl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.97791904
LogD (pH = 7.4)
0.6731171
Log P
2.149594
Molar Refractivity
46.0744
Polarizability
18.076155
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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