Molecule

ID:17869

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂
Molecular Mass
128.21534
Exact Mass
128.13134852
Charge
0
InChI
InChI=1S/C7H16N2/c1-2-9-5-3-4-7(8)6-9/h7H,2-6,8H2,1H3
InChIKey
WAKUKXKZEXFXJP-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCC(C1)N
Isomeric Smiles
N1(CC(CCC1)N)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.7383003
LogD (pH = 7.4)
-2.4741344
Log P
0.21555814
Molar Refractivity
39.8977
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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