Molecule

ID:73887

General Information
Structure
MolImage
Molecular Formula
C₁₄H₃₁N₃
Molecular Mass
241.41604
Exact Mass
241.25179801
Charge
0
InChI
InChI=1S/C14H31N3/c1-3-9-16(10-4-2)12-6-13-17-11-5-7-15-8-14-17/h15H,3-14H2,1-2H3
InChIKey
MIZVQJBPSCHNND-UHFFFAOYSA-N
Canonic Smiles
CCCN(CCCN1CCNCCC1)CCC
Isomeric Smiles
N1(CCNCCC1)CCCN(CCC)CCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.4340296
LogD (pH = 7.4)
-4.0603704
Log P
1.5514657
Molar Refractivity
77.0386
Polarizability
30.410118
Polar Surface Area
18.51
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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