Molecule

ID:118372

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃N₃
Molecular Mass
281.39532
Exact Mass
281.18919775
Charge
0
InChI
InChI=1S/C18H23N3/c1-20(2)16-9-7-15(8-10-16)18(13-19)21-12-11-14-5-3-4-6-17(14)21/h3-10,18H,11-13,19H2,1-2H3
InChIKey
XQCDZEWIWQFYKM-UHFFFAOYSA-N
Canonic Smiles
NCC(N1CCc2c1cccc2)c1ccc(cc1)N(C)C
Isomeric Smiles
N1(c2c(CC1)cccc2)C(c1ccc(N(C)C)cc1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.16939856
LogD (pH = 7.4)
1.2439096
Log P
3.2164783
Molar Refractivity
90.4574
Polarizability
34.016674
Polar Surface Area
32.5
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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