Molecule

ID:48090

General Information
Structure
MolImage
Molecular Formula
C₁₄H₃₀Cl₂N₂O
Molecular Mass
313.3068
Exact Mass
312.17351895
Charge
0
InChI
InChI=1S/C14H28N2O.2ClH/c1-16(12-13-6-10-17-11-7-13)9-5-14-4-2-3-8-15-14;;/h13-15H,2-12H2,1H3;2*1H
InChIKey
XVJYCEZHYYJAQJ-UHFFFAOYSA-N
Canonic Smiles
CN(CC1CCOCC1)CCC1CCCCN1.Cl.Cl
Isomeric Smiles
N1C(CCN(CC2CCOCC2)C)CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.036454
LogD (pH = 7.4)
-3.0629382
Log P
1.2176459
Molar Refractivity
72.6836
Polarizability
28.812555
Polar Surface Area
24.5
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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