Molecule

ID:67634

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClNO
Molecular Mass
129.54436
Exact Mass
128.99814143
Charge
0
InChI
InChI=1S/C5H4ClNO/c6-5-3-4(8)1-2-7-5/h1-3H,(H,7,8)
InChIKey
VBEHFOMFHUQAOW-UHFFFAOYSA-N
Canonic Smiles
Oc1ccnc(c1)Cl
Isomeric Smiles
c1(cc(ccn1)O)Cl
Calculated Properties
JChem
Acid pKa
9.411067
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2761755
LogD (pH = 7.4)
1.2720944
Log P
1.27623
Molar Refractivity
31.7481
Polarizability
12.011057
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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