Molecule

ID:126597

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂
Molecular Mass
128.21534
Exact Mass
128.13134852
Charge
0
InChI
InChI=1S/C7H16N2/c8-9-6-7-4-2-1-3-5-7/h7,9H,1-6,8H2
InChIKey
BDHMBGHSWFWYSP-UHFFFAOYSA-N
Canonic Smiles
NNCC1CCCCC1
Isomeric Smiles
NNCC1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.76948035
LogD (pH = 7.4)
1.2910855
Log P
1.3041689
Molar Refractivity
50.6407
Polarizability
15.758498
Polar Surface Area
38.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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