Molecule

ID:44354

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₂
Molecular Mass
130.57548
Exact Mass
130.02977591
Charge
0
InChI
InChI=1S/C5H7ClN2/c1-8-3-2-7-5(8)4-6/h2-3H,4H2,1H3
InChIKey
VYEGAEUUQMJXTM-UHFFFAOYSA-N
Canonic Smiles
ClCc1nccn1C
Isomeric Smiles
c1(n(ccn1)C)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.19031031
LogD (pH = 7.4)
0.721202
Log P
0.7388604
Molar Refractivity
33.1034
Polarizability
12.596086
Polar Surface Area
17.82
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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