Molecule

ID:90695

General Information
Structure
MolImage
Molecular Formula
C₇H₁₈Cl₂N₂
Molecular Mass
201.13722
Exact Mass
200.08470395
Charge
0
InChI
InChI=1S/C7H16N2.2ClH/c1-2-9-7-4-3-5-8-6-7;;/h7-9H,2-6H2,1H3;2*1H/t7-;;/m1../s1
InChIKey
VCBNYNFIAOSYNL-XCUBXKJBSA-N
Canonic Smiles
CCN[C@@H]1CCCNC1.Cl.Cl
Isomeric Smiles
N1CCC[C@H](C1)NCC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.454617
LogD (pH = 7.4)
-2.3660972
Log P
0.2650906
Molar Refractivity
39.3776
Polarizability
15.965017
Polar Surface Area
24.06
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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