Molecule

ID:33565

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₃N₃
Molecular Mass
185.30972
Exact Mass
185.18919775
Charge
0
InChI
InChI=1S/C10H23N3/c1-4-13-7-5-10(9-11,6-8-13)12(2)3/h4-9,11H2,1-3H3
InChIKey
IEMSHOQNZVVJSP-UHFFFAOYSA-N
Canonic Smiles
CCN1CCC(CC1)(CN)N(C)C
Isomeric Smiles
C1(CCN(CC1)CC)(N(C)C)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.677219
LogD (pH = 7.4)
-4.518053
Log P
-0.29943156
Molar Refractivity
58.0272
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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