Molecule

ID:78778

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇Cl₂N₃O₂
Molecular Mass
366.24178
Exact Mass
365.06978216
Charge
0
InChI
InChI=1S/C17H17Cl2N3O2/c18-14-6-7-15(22(23)24)17(16(14)19)21-10-8-20(9-11-21)12-13-4-2-1-3-5-13/h1-7H,8-12H2
InChIKey
UULJIBOCGOKPMI-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1N1CCN(CC1)Cc1ccccc1)Cl)Cl
Isomeric Smiles
[N+](=O)(c1c(c(c(cc1)Cl)Cl)N1CCN(CC1)Cc1ccccc1)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.5863285
LogD (pH = 7.4)
4.7236953
Log P
4.800956
Molar Refractivity
98.0836
Polarizability
36.737873
Polar Surface Area
52.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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