Molecule

ID:48205

General Information
Structure
MolImage
Molecular Formula
C₇H₁₈Cl₂N₂
Molecular Mass
201.13722
Exact Mass
200.08470395
Charge
0
InChI
InChI=1S/C7H16N2.2ClH/c1-9(2)6-7-4-3-5-8-7;;/h7-8H,3-6H2,1-2H3;2*1H
InChIKey
WYOMVPNXWDCQRG-UHFFFAOYSA-N
Canonic Smiles
CN(CC1CCCN1)C.Cl.Cl
Isomeric Smiles
N1C(CN(C)C)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.2260246
LogD (pH = 7.4)
-2.8605452
Log P
0.29133058
Molar Refractivity
39.9237
Polarizability
15.965017
Polar Surface Area
15.27
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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