Molecule

ID:15767

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₇N₃
Molecular Mass
225.37358
Exact Mass
225.22049788
Charge
0
InChI
InChI=1S/C13H27N3/c1-15(2)10-12-4-3-9-16(11-12)13-5-7-14-8-6-13/h12-14H,3-11H2,1-2H3
InChIKey
BACUERBVBVPLKR-UHFFFAOYSA-N
Canonic Smiles
CN(CC1CCCN(C1)C1CCNCC1)C
Isomeric Smiles
N1(CC(CCC1)CN(C)C)C1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-7.8102775
LogD (pH = 7.4)
-4.8484244
Log P
0.36289126
Molar Refractivity
70.3148
Polarizability
27.824001
Polar Surface Area
18.51
Rotatable Bonds
3
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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