Molecule

ID:89490

General Information
Structure
Molecular Formula
C₁₀H₁₄ClN₃O₂
Molecular Mass
243.69006
Exact Mass
243.07745438
Charge
0
InChI
InChI=1S/C10H13N3O2.ClH/c14-13(15)10-4-2-1-3-9(10)12-7-5-11-6-8-12;/h1-4,11H,5-8H2;1H
InChIKey
ZSXNQTQDJNJPGR-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccccc1N1CCNCC1.Cl
Isomeric Smiles
N1(c2c(cccc2)[N+](=O)[O-])CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4627
LogD (pH = 7.4)
0.116462216
Log P
1.4853455
Molar Refractivity
58.5667
Polarizability
21.503956
Polar Surface Area
61.09
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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