Molecule

ID:31083

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂
Molecular Mass
192.3006
Exact Mass
192.16264865
Charge
0
InChI
InChI=1S/C12H20N2/c1-3-14(4-2)12(10-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10,13H2,1-2H3
InChIKey
ZXCVEIVPQIPKIO-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccc1)N(CC)CC
Isomeric Smiles
C(N(CC)CC)(c1ccccc1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6110232
LogD (pH = 7.4)
-0.326529
Log P
1.8910418
Molar Refractivity
61.7179
Polarizability
24.497196
Polar Surface Area
29.26
Rotatable Bonds
5
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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