Molecule

ID:14712

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₅N₃
Molecular Mass
199.3363
Exact Mass
199.20484782
Charge
0
InChI
InChI=1S/C11H25N3/c1-13(2)8-4-7-12-11-5-9-14(3)10-6-11/h11-12H,4-10H2,1-3H3
InChIKey
PUDVDBBVMUOLCI-UHFFFAOYSA-N
Canonic Smiles
CN(CCCNC1CCN(CC1)C)C
Isomeric Smiles
C1(CCN(CC1)C)NCCCN(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-7.7957025
LogD (pH = 7.4)
-4.3585076
Log P
-0.08746808
Molar Refractivity
63.029
Polarizability
24.87069
Polar Surface Area
18.51
Rotatable Bonds
5
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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