Molecule

ID:19366

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂
Molecular Mass
196.33236
Exact Mass
196.19394878
Charge
0
InChI
InChI=1S/C12H24N2/c1-11-6-2-5-9-14(11)12(10-13)7-3-4-8-12/h11H,2-10,13H2,1H3
InChIKey
ZVSMNJRHMJYPIX-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCCC1)N1CCCCC1C
Isomeric Smiles
N1(C2(CN)CCCC2)C(C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1154318
LogD (pH = 7.4)
-1.2370459
Log P
1.9385974
Molar Refractivity
60.8015
Polarizability
24.457176
Polar Surface Area
29.26
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
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Molecule Details
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References
Bioactivity
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