Molecule

ID:90372

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃ClN₂O
Molecular Mass
164.63322
Exact Mass
164.07164073
Charge
0
InChI
InChI=1S/C6H12N2O.ClH/c7-6(8)5-1-3-9-4-2-5;/h5H,1-4H2,(H3,7,8);1H
InChIKey
FKKMOZYIBVNGAP-UHFFFAOYSA-N
Canonic Smiles
NC(=N)C1CCOCC1.Cl
Isomeric Smiles
N=C(C1CCOCC1)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.9549057
LogD (pH = 7.4)
-2.954331
Log P
-0.53945434
Molar Refractivity
45.8107
Polarizability
13.618962
Polar Surface Area
59.1
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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