Molecule

ID:89264

General Information
Structure
Molecular Formula
C₈H₂₀Cl₂N₂
Molecular Mass
215.1638
Exact Mass
214.10035401
Charge
0
InChI
InChI=1S/C8H18N2.2ClH/c1-8(2,3)10-6-4-9-5-7-10;;/h9H,4-7H2,1-3H3;2*1H
InChIKey
IZXIHCNVEXNZKH-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCNCC1)(C)C.Cl.Cl
Isomeric Smiles
N1(C(C)(C)C)CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7121587
LogD (pH = 7.4)
-1.8299516
Log P
0.70820075
Molar Refractivity
44.5491
Polarizability
17.811394
Polar Surface Area
15.27
Rotatable Bonds
1
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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