Molecule

ID:48052

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄Cl₂N₂
Molecular Mass
255.22766
Exact Mass
254.13165414
Charge
0
InChI
InChI=1S/C11H22N2.2ClH/c1-13(11-7-8-12-9-11)10-5-3-2-4-6-10;;/h10-12H,2-9H2,1H3;2*1H
InChIKey
GVTVRWJUEIBSBM-UHFFFAOYSA-N
Canonic Smiles
CN(C1CNCC1)C1CCCCC1.Cl.Cl
Isomeric Smiles
N(C1CCNC1)(C1CCCCC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5148065
LogD (pH = 7.4)
-1.4995323
Log P
1.5732385
Molar Refractivity
56.2933
Polarizability
22.610828
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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