Molecule

ID:117142

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂
Molecular Mass
168.2792
Exact Mass
168.16264865
Charge
0
InChI
InChI=1S/C10H20N2/c1-9(2)12(10(3)4)8-6-5-7-11/h9-10H,7-8,11H2,1-4H3
InChIKey
KUCWBDYXZADOJG-UHFFFAOYSA-N
Canonic Smiles
NCC#CCN(C(C)C)C(C)C
Isomeric Smiles
C(#CCN)CN(C(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.7224946
LogD (pH = 7.4)
-1.8881992
Log P
1.4137956
Molar Refractivity
54.8361
Polarizability
21.138508
Polar Surface Area
29.26
Rotatable Bonds
5
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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