Molecule

ID:54853

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₇Cl₂N₃O₂
Molecular Mass
364.31048
Exact Mass
363.14803248
Charge
0
InChI
InChI=1S/C16H25N3O2.2ClH/c17-9-4-10-18-15-7-11-19(12-8-15)16(20)21-13-14-5-2-1-3-6-14;;/h1-3,5-6,15,18H,4,7-13,17H2;2*1H
InChIKey
UIVNVNOHHAGUNW-UHFFFAOYSA-N
Canonic Smiles
NCCCNC1CCN(CC1)C(=O)OCc1ccccc1.Cl.Cl
Isomeric Smiles
C(=O)(N1CCC(CC1)NCCCN)OCc1ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.2000327
LogD (pH = 7.4)
-3.316341
Log P
0.6675622
Molar Refractivity
83.4671
Polarizability
32.963898
Polar Surface Area
67.59
Rotatable Bonds
7
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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