Molecule

ID:78576

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₂
Molecular Mass
130.57548
Exact Mass
130.02977591
Charge
0
InChI
InChI=1S/C5H7ClN2/c1-8-3-2-5(4-6)7-8/h2-3H,4H2,1H3
InChIKey
DHOBZYGMEYEAEM-UHFFFAOYSA-N
Canonic Smiles
Cn1ccc(n1)CCl
Isomeric Smiles
n1c(ccn1C)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0697777
LogD (pH = 7.4)
1.0698193
Log P
1.0698198
Molar Refractivity
44.3061
Polarizability
12.589381
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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