Molecule

ID:30517

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃N₃
Molecular Mass
197.32042
Exact Mass
197.18919775
Charge
0
InChI
InChI=1S/C11H23N3/c1-2-6-13(7-3-1)10-11-14-8-4-12-5-9-14/h12H,1-11H2
InChIKey
NWWINQCALMSSFD-UHFFFAOYSA-N
Canonic Smiles
C1CCN(CC1)CCN1CCNCC1
Isomeric Smiles
N1(CCN2CCNCC2)CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.7615886
LogD (pH = 7.4)
-2.992297
Log P
0.5232518
Molar Refractivity
60.9046
Polarizability
24.131968
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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