Molecule

ID:22065

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClFN₃O₂
Molecular Mass
275.7071032
Exact Mass
275.08368264
Charge
0
InChI
InChI=1S/C11H14FN3O2.ClH/c1-8-7-14(5-4-13-8)10-3-2-9(12)6-11(10)15(16)17;/h2-3,6,8,13H,4-5,7H2,1H3;1H
InChIKey
PPRCDYXPKMVTFD-UHFFFAOYSA-N
Canonic Smiles
CC1NCCN(C1)c1ccc(cc1[N+](=O)[O-])F.Cl
Isomeric Smiles
Cl.c1c(cc(c(c1)N1CC(NCC1)C)[N+](=O)[O-])F
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.9450749
LogD (pH = 7.4)
0.5910424
Log P
2.0446224
Molar Refractivity
63.2019
Polarizability
23.068085
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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