Molecule

ID:24206

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈Cl₂N₂O₂
Molecular Mass
363.32242
Exact Mass
362.15278351
Charge
0
InChI
InChI=1S/C17H26N2O2.2ClH/c1-3-4-15-11-14(2)5-6-17(15)21-13-16(20)12-19-9-7-18-8-10-19;;/h3,5-6,11,16,18,20H,1,4,7-10,12-13H2,2H3;2*1H
InChIKey
ZQYNTICNLCLXGH-UHFFFAOYSA-N
Canonic Smiles
C=CCc1cc(C)ccc1OCC(CN1CCNCC1)O.Cl.Cl
Isomeric Smiles
c1(c(cc(cc1)C)CC=C)OCC(CN1CCNCC1)O.Cl.Cl
Calculated Properties
JChem
Acid pKa
14.0789175
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.8874398
LogD (pH = 7.4)
0.44164738
Log P
2.279948
Molar Refractivity
86.5867
Polarizability
33.894257
Polar Surface Area
44.73
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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