Molecule

ID:54256

General Information
Structure
Molecular Formula
C₁₀H₂₁N₃
Molecular Mass
183.29384
Exact Mass
183.17354769
Charge
0
InChI
InChI=1S/C10H21N3/c1-12-6-8-13(9-7-12)10-2-4-11-5-3-10/h10-11H,2-9H2,1H3
InChIKey
MRYYJGQKVGZGSB-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C1CCNCC1
Isomeric Smiles
C1N(CCN(C1)C1CCNCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.0803022
LogD (pH = 7.4)
-3.7835863
Log P
-0.31895277
Molar Refractivity
56.1946
Polarizability
22.286194
Polar Surface Area
18.51
Rotatable Bonds
1
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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