Molecule

ID:89492

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂
Molecular Mass
128.21534
Exact Mass
128.13134852
Charge
0
InChI
InChI=1S/C7H16N2/c1-2-5-9-6-3-8-4-7-9/h8H,2-7H2,1H3
InChIKey
QLEIDMAURCRVCX-UHFFFAOYSA-N
Canonic Smiles
CCCN1CCNCC1
Isomeric Smiles
N1(CCNCC1)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.03253
LogD (pH = 7.4)
-1.7622564
Log P
0.5335715
Molar Refractivity
40.0161
Polarizability
15.965017
Polar Surface Area
15.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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