Molecule

ID:53751

General Information
Structure
Molecular Formula
C₁₁H₁₅ClFN₃O₂
Molecular Mass
275.7071032
Exact Mass
275.08368264
Charge
0
InChI
InChI=1S/C11H14FN3O2.ClH/c1-8-6-10(14-4-2-13-3-5-14)11(15(16)17)7-9(8)12;/h6-7,13H,2-5H2,1H3;1H
InChIKey
DSHAPVZARCLESC-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(N2CCNCC2)c(cc1F)[N+](=O)[O-].Cl
Isomeric Smiles
c1([N+](=O)[O-])c(N2CCNCC2)cc(c(c1)F)C.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.80866414
LogD (pH = 7.4)
0.76856196
Log P
2.1414688
Molar Refractivity
63.8243
Polarizability
22.997122
Polar Surface Area
61.09
Rotatable Bonds
2
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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