Molecule

ID:103960

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆Cl₂N₂O₃
Molecular Mass
377.30594
Exact Mass
376.13204806
Charge
0
InChI
InChI=1S/C17H25ClN2O3.ClH/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2;/h9,12,21H,4-8,10H2,1-3H3,(H,19,22);1H
InChIKey
HFJFXXDHVWLIKX-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCC1CNC(=O)c1c(O)c(CC)cc(c1OC)Cl.Cl
Isomeric Smiles
Cl.CCN1CCCC1CNC(=O)c1c(OC)c(Cl)cc(CC)c1O
Calculated Properties
JChem
Acid pKa
7.8603234
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.86016554
LogD (pH = 7.4)
2.537926
Log P
2.84713
Molar Refractivity
92.9031
Polarizability
35.489624
Polar Surface Area
61.8
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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