Molecule

ID:67424

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClNO
Molecular Mass
129.54436
Exact Mass
128.99814143
Charge
0
InChI
InChI=1S/C5H4ClNO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8)
InChIKey
OZUXGFRLSKQVMI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc(c1)O
Isomeric Smiles
c1(cc(ccn1)Cl)O
Calculated Properties
JChem
Acid pKa
10.485792
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6504757
LogD (pH = 7.4)
1.6501579
Log P
1.6505103
Molar Refractivity
31.0003
Polarizability
11.960482
Polar Surface Area
33.12
Rotatable Bonds
0
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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