Molecule

ID:18603

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃ClN₂
Molecular Mass
136.62312
Exact Mass
136.07672611
Charge
0
InChI
InChI=1S/C5H12N2.ClH/c1-5(2,3)4(6)7;/h1-3H3,(H3,6,7);1H
InChIKey
ARDGQYVTLGUJII-UHFFFAOYSA-N
Canonic Smiles
NC(=N)C(C)(C)C.Cl
Isomeric Smiles
C(=N)(C(C)(C)C)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.5763781
LogD (pH = 7.4)
-1.5760338
Log P
0.8390763
Molar Refractivity
40.7624
Polarizability
11.801808
Polar Surface Area
49.87
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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