Molecule

ID:34596

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇Cl₂N
Molecular Mass
198.13328
Exact Mass
197.07380491
Charge
0
InChI
InChI=1S/C8H16ClN.ClH/c1-8(7-9)10-5-3-2-4-6-10;/h8H,2-7H2,1H3;1H
InChIKey
VAKBTUUPPRNPTQ-UHFFFAOYSA-N
Canonic Smiles
ClCC(N1CCCCC1)C.Cl
Isomeric Smiles
C1CCCCN1C(CCl)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.903144
LogD (pH = 7.4)
0.802459
Log P
2.1216004
Molar Refractivity
45.8922
Polarizability
18.076239
Polar Surface Area
3.24
Rotatable Bonds
2
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
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References
Bioactivity
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