Molecule

ID:34352

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁N₃
Molecular Mass
183.29384
Exact Mass
183.17354769
Charge
0
InChI
InChI=1S/C10H21N3/c1-12-6-2-10(3-7-12)13-8-4-11-5-9-13/h10-11H,2-9H2,1H3
InChIKey
OHUMKYGINIODOY-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)N1CCNCC1
Isomeric Smiles
C1C(CCN(C1)C)N1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.5718303
LogD (pH = 7.4)
-3.80939
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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