Molecule

ID:15837

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₀Cl₂N₂O
Molecular Mass
361.3496
Exact Mass
360.17351895
Charge
0
InChI
InChI=1S/C18H28N2O.2ClH/c1-21-11-8-19-14-15-6-9-20(10-7-15)18-12-16-4-2-3-5-17(16)13-18;;/h2-5,15,18-19H,6-14H2,1H3;2*1H
InChIKey
FYCAPNHBPRMIBA-UHFFFAOYSA-N
Canonic Smiles
COCCNCC1CCN(CC1)C1Cc2c(C1)cccc2.Cl.Cl
Isomeric Smiles
C1(CCN(CC1)C1Cc2c(C1)cccc2)CNCCOC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.2226806
LogD (pH = 7.4)
-2.2904105
Log P
2.3603427
Molar Refractivity
88.3534
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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