Molecule

ID:50898

General Information
Structure
Molecular Formula
C₇H₁₆N₂
Molecular Mass
128.21534
Exact Mass
128.13134852
Charge
0
InChI
InChI=1S/C7H16N2/c1-9-4-2-3-7(5-8)6-9/h7H,2-6,8H2,1H3
InChIKey
KEDTYNCWGSIWBK-UHFFFAOYSA-N
Canonic Smiles
NCC1CCCN(C1)C
Isomeric Smiles
N1(CC(CN)CCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-6.142563
LogD (pH = 7.4)
-4.049159
Log P
-0.09649526
Molar Refractivity
40.0891
Polarizability
15.965017
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
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Molecule Details
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References
Bioactivity
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