Molecule

ID:24609

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂
Molecular Mass
128.21534
Exact Mass
128.13134852
Charge
0
InChI
InChI=1S/C7H16N2/c1-8-7-3-5-9(2)6-4-7/h7-8H,3-6H2,1-2H3
InChIKey
XRYGCVVVDCEPRL-UHFFFAOYSA-N
Canonic Smiles
CNC1CCN(CC1)C
Isomeric Smiles
N1(CCC(CC1)NC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.4917116
LogD (pH = 7.4)
-3.5043106
Log P
-0.16607234
Molar Refractivity
40.1445
Polarizability
15.965017
Polar Surface Area
15.27
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
No Data Available
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Molecule Details
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References
Bioactivity
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