Molecule

ID:76188

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀Cl₂N₂
Molecular Mass
263.2066
Exact Mass
262.10035401
Charge
0
InChI
InChI=1S/C12H18N2.2ClH/c13-9-11(12-7-4-8-14-12)10-5-2-1-3-6-10;;/h1-3,5-6,11-12,14H,4,7-9,13H2;2*1H
InChIKey
NDCBOBCOGTZJNT-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccc1)C1CCCN1.Cl.Cl
Isomeric Smiles
N1CCCC1C(c1ccccc1)CN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.5543437
LogD (pH = 7.4)
-2.759974
Log P
1.1487895
Molar Refractivity
59.2312
Polarizability
23.67311
Polar Surface Area
38.05
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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