Molecule

ID:64373

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂
Molecular Mass
158.62864
Exact Mass
158.06107604
Charge
0
InChI
InChI=1S/C7H11ClN2/c1-7(2,3)10-5-4-9-6(10)8/h4-5H,1-3H3
InChIKey
HGALHYIWAIAMJQ-UHFFFAOYSA-N
Canonic Smiles
CC(n1ccnc1Cl)(C)C
Isomeric Smiles
n1(c(ncc1)Cl)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.026196
LogD (pH = 7.4)
2.046164
Log P
2.0464258
Molar Refractivity
42.741
Polarizability
16.389206
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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