Molecule

ID:78269

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClN₂
Molecular Mass
144.60206
Exact Mass
144.04542598
Charge
0
InChI
InChI=1S/C6H9ClN2/c1-5(2)9-4-3-8-6(9)7/h3-5H,1-2H3
InChIKey
DASXVMCVZIOXGG-UHFFFAOYSA-N
Canonic Smiles
CC(n1ccnc1Cl)C
Isomeric Smiles
n1(c(ncc1)Cl)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7444472
LogD (pH = 7.4)
1.7655718
Log P
1.7658491
Molar Refractivity
38.1028
Polarizability
14.555399
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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