Molecule

ID:24567

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄N₂
Molecular Mass
114.18876
Exact Mass
114.11569846
Charge
0
InChI
InChI=1S/C6H14N2/c1-8-4-2-3-6(8)5-7/h6H,2-5,7H2,1H3
InChIKey
JUFKJRCMBLLXNH-UHFFFAOYSA-N
Canonic Smiles
NCC1CCCN1C
Isomeric Smiles
N1(C(CN)CCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.1451473
LogD (pH = 7.4)
-2.8681512
Log P
-0.1412498
Molar Refractivity
35.1491
Polarizability
14.118806
Polar Surface Area
29.26
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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