Molecule

ID:76841

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂
Molecular Mass
112.17288
Exact Mass
112.10004839
Charge
0
InChI
InChI=1S/C6H12N2/c1-6-7-4-3-5-8(6)2/h3-5H2,1-2H3
InChIKey
ZFDWWDZLRKHULH-UHFFFAOYSA-N
Canonic Smiles
CC1=NCCCN1C
Isomeric Smiles
N1(C(=NCCC1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.7241554
LogD (pH = 7.4)
-2.718911
Log P
-0.30876383
Molar Refractivity
34.5075
Polarizability
12.913929
Polar Surface Area
15.6
Rotatable Bonds
0
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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