Molecule

ID:33680

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₂
Molecular Mass
130.57548
Exact Mass
130.02977591
Charge
0
InChI
InChI=1S/C5H7ClN2/c1-2-8-4-5(6)3-7-8/h3-4H,2H2,1H3
InChIKey
UKWSJLUHXRFELF-UHFFFAOYSA-N
Canonic Smiles
CCn1cc(cn1)Cl
Isomeric Smiles
n1n(cc(c1)Cl)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3619435
LogD (pH = 7.4)
1.3619583
Log P
1.3619585
Molar Refractivity
44.5148
Polarizability
12.666045
Polar Surface Area
17.82
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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