Molecule

ID:10747

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂O₂
Molecular Mass
188.61156
Exact Mass
188.03525522
Charge
0
InChI
InChI=1S/C7H8N2O2.ClH/c8-5-6-2-1-3-7(4-6)9(10)11;/h1-4H,5,8H2;1H
InChIKey
DLZXLCHQWOZGSE-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)[N+](=O)[O-].Cl
Isomeric Smiles
c1(cc(ccc1)[N+](=O)[O-])CN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.885001
LogD (pH = 7.4)
-0.6281258
Log P
1.0389985
Molar Refractivity
40.8519
Polarizability
15.55933
Polar Surface Area
69.16
Rotatable Bonds
2
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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