Molecule

ID:63199

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂
Molecular Mass
128.21534
Exact Mass
128.13134852
Charge
0
InChI
InChI=1S/C7H16N2/c1-9-5-2-3-7(8)4-6-9/h7H,2-6,8H2,1H3
InChIKey
LYRZFDLVKYYDOX-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC(CC1)N
Isomeric Smiles
NC1CCN(CCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-6.2388854
LogD (pH = 7.4)
-4.318059
Log P
-0.081290066
Molar Refractivity
40.0145
Polarizability
15.965017
Polar Surface Area
29.26
Rotatable Bonds
0
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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