Molecule

ID:115925

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁N₃
Molecular Mass
243.34734
Exact Mass
243.17354769
Charge
0
InChI
InChI=1S/C15H21N3/c1-11-7-14-15(8-12(11)2)18(10-17-14)9-13-3-5-16-6-4-13/h7-8,10,13,16H,3-6,9H2,1-2H3
InChIKey
KBZSAYKIAPFTFV-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2n(CC3CCNCC3)cnc2cc1C
Isomeric Smiles
n1(c2c(nc1)cc(c(c2)C)C)CC1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2257206
LogD (pH = 7.4)
-0.18411757
Log P
2.6143818
Molar Refractivity
74.922
Polarizability
29.996174
Polar Surface Area
29.85
Rotatable Bonds
2
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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