Molecule

ID:15838

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₀Cl₂N₂O
Molecular Mass
361.3496
Exact Mass
360.17351895
Charge
0
InChI
InChI=1S/C18H28N2O.2ClH/c1-21-10-8-19-13-15-5-4-9-20(14-15)18-11-16-6-2-3-7-17(16)12-18;;/h2-3,6-7,15,18-19H,4-5,8-14H2,1H3;2*1H
InChIKey
KJXGSNGFAQTSMW-UHFFFAOYSA-N
Canonic Smiles
COCCNCC1CCCN(C1)C1Cc2c(C1)cccc2.Cl.Cl
Isomeric Smiles
C1C(CN(CC1)C1Cc2c(C1)cccc2)CNCCOC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.4850957
LogD (pH = 7.4)
-1.2215312
Log P
2.4018996
Molar Refractivity
88.2546
Polarizability
34.584457
Polar Surface Area
24.5
Rotatable Bonds
6
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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