Molecule

ID:98387

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClFN₃
Molecular Mass
213.6392632
Exact Mass
213.0469032
Charge
0
InChI
InChI=1S/C9H8FN3.ClH/c10-6-1-2-8-7(5-6)9(13-11)3-4-12-8;/h1-5H,11H2,(H,12,13);1H
InChIKey
NPCLEVOHKCYIJW-UHFFFAOYSA-N
Canonic Smiles
NNc1ccnc2c1cc(F)cc2.Cl
Isomeric Smiles
n1ccc(c2cc(ccc12)F)NN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2943356
LogD (pH = 7.4)
1.6577108
Log P
1.665245
Molar Refractivity
49.9024
Polarizability
19.144005
Polar Surface Area
50.94
Rotatable Bonds
1
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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