Molecule

ID:47695

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃N₃
Molecular Mass
281.39532
Exact Mass
281.18919775
Charge
0
InChI
InChI=1S/C18H23N3/c1-15-7-8-18(17(19)13-15)21-11-9-20(10-12-21)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14,19H2,1H3
InChIKey
KYQLPYZHUVVMRJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)N)N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(c2c(cc(cc2)C)N)CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7427212
LogD (pH = 7.4)
2.5220354
Log P
3.3373778
Molar Refractivity
90.8909
Polarizability
34.02059
Polar Surface Area
32.5
Rotatable Bonds
3
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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