Molecule

ID:66660

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClNO
Molecular Mass
129.54436
Exact Mass
128.99814143
Charge
0
InChI
InChI=1S/C5H4ClNO/c6-4-3-7-2-1-5(4)8/h1-3H,(H,7,8)
InChIKey
NKEYLLFRPHHBOQ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccncc1Cl
Isomeric Smiles
c1c(c(ccn1)O)Cl
Calculated Properties
JChem
Acid pKa
8.601044
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0556368
LogD (pH = 7.4)
1.0300936
Log P
1.0560527
Molar Refractivity
30.6868
Polarizability
11.981505
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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