Molecule

ID:31499

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₃N₃
Molecular Mass
185.30972
Exact Mass
185.18919775
Charge
0
InChI
InChI=1S/C10H23N3/c1-10(2,8-11)9-13-6-4-12(3)5-7-13/h4-9,11H2,1-3H3
InChIKey
NSYKKEXFLYMRPJ-UHFFFAOYSA-N
Canonic Smiles
NCC(CN1CCN(CC1)C)(C)C
Isomeric Smiles
N1(CC(CN)(C)C)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.2880764
LogD (pH = 7.4)
-2.8903291
Log P
0.2719401
Molar Refractivity
57.6127
Polarizability
23.024387
Polar Surface Area
32.5
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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