Molecule

ID:35516

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆Cl₂N₂
Molecular Mass
199.12134
Exact Mass
198.06905388
Charge
0
InChI
InChI=1S/C7H15ClN2.ClH/c1-9-4-6-10(3-2-8)7-5-9;/h2-7H2,1H3;1H
InChIKey
NVYZDOQALWYSEJ-UHFFFAOYSA-N
Canonic Smiles
ClCCN1CCN(CC1)C.Cl
Isomeric Smiles
N1(CCN(CC1)CCCl)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.4578578
LogD (pH = 7.4)
0.24100459
Log P
0.7017789
Molar Refractivity
45.3815
Polarizability
17.763885
Polar Surface Area
6.48
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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