Molecule

ID:25103

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁N₃
Molecular Mass
195.30454
Exact Mass
195.17354769
Charge
0
InChI
InChI=1S/C11H21N3/c1-6-14-10(5)11(9(4)13-14)7-12-8(2)3/h8,12H,6-7H2,1-5H3
InChIKey
GXNCLALLNYAZSB-UHFFFAOYSA-N
Canonic Smiles
CCn1nc(c(c1C)CNC(C)C)C
Isomeric Smiles
c1(c(n(nc1C)CC)C)CNC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7165399
LogD (pH = 7.4)
-0.46852583
Log P
1.4205772
Molar Refractivity
71.8666
Polarizability
23.156778
Polar Surface Area
29.85
Rotatable Bonds
4
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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