Molecule

ID:24517

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₇N₃
Molecular Mass
249.39498
Exact Mass
249.22049788
Charge
0
InChI
InChI=1S/C15H27N3/c1-4-18(5-2)15-9-7-14(8-10-15)13-17-12-6-11-16-3/h7-10,16-17H,4-6,11-13H2,1-3H3
InChIKey
SADJFIAWRXKFQP-UHFFFAOYSA-N
Canonic Smiles
CNCCCNCc1ccc(cc1)N(CC)CC
Isomeric Smiles
c1(N(CC)CC)ccc(cc1)CNCCCNC
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.0061426
LogD (pH = 7.4)
-1.7382001
Log P
2.0488107
Molar Refractivity
80.8216
Polarizability
31.147192
Polar Surface Area
27.3
Rotatable Bonds
9
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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