Molecule

ID:75948

General Information
Structure
MolImage
Molecular Formula
C₅H₈ClNO
Molecular Mass
133.57612
Exact Mass
133.02944156
Charge
0
InChI
InChI=1S/C5H7NO.ClH/c6-3-5-1-2-7-4-5;/h1-2,4H,3,6H2;1H
InChIKey
PINLLYKDLREDNP-UHFFFAOYSA-N
Canonic Smiles
NCc1cocc1.Cl
Isomeric Smiles
o1ccc(c1)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.637548
LogD (pH = 7.4)
-1.2578071
Log P
0.23925978
Molar Refractivity
27.0448
Polarizability
10.553808
Polar Surface Area
39.16
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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