Molecule

ID:35521

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₄O₃
Molecular Mass
270.67234
Exact Mass
270.05196791
Charge
0
InChI
InChI=1S/C10H11ClN4O3/c1-3-14(4-2)7-5-6(11)8-9(13-18-12-8)10(7)15(16)17/h5H,3-4H2,1-2H3
InChIKey
OXXZTIXFMCJHEJ-UHFFFAOYSA-N
Canonic Smiles
CCN(c1cc(Cl)c2c(c1[N+](=O)[O-])non2)CC
Isomeric Smiles
c1(c2c(c(cc1N(CC)CC)Cl)non2)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.688956
LogD (pH = 7.4)
2.6889572
Log P
2.6889572
Molar Refractivity
68.1901
Polarizability
25.360483
Polar Surface Area
87.98
Rotatable Bonds
4
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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