Molecule

ID:107516

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₄N₂
Molecular Mass
172.31096
Exact Mass
172.19394878
Charge
0
InChI
InChI=1S/C10H24N2/c1-9(2)12(10(3)4)8-6-5-7-11/h9-10H,5-8,11H2,1-4H3
InChIKey
OWRQMOQBTYIJQC-UHFFFAOYSA-N
Canonic Smiles
NCCCCN(C(C)C)C(C)C
Isomeric Smiles
CC(C)N(CCCCN)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.002154
LogD (pH = 7.4)
-4.271539
Log P
1.517274
Molar Refractivity
55.7827
Polarizability
22.246355
Polar Surface Area
29.26
Rotatable Bonds
6
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
References
Bioactivity
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