Molecule

ID:77008

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃N₃
Molecular Mass
281.39532
Exact Mass
281.18919775
Charge
0
InChI
InChI=1S/C18H23N3/c19-17-6-8-18(9-7-17)21-14-12-20(13-15-21)11-10-16-4-2-1-3-5-16/h1-9H,10-15,19H2
InChIKey
FEFYCXTXTLNRTM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCN(CC1)CCc1ccccc1
Isomeric Smiles
N1(c2ccc(cc2)N)CCN(CCc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.14504072
LogD (pH = 7.4)
1.9480816
Log P
3.1126177
Molar Refractivity
90.6047
Polarizability
34.022816
Polar Surface Area
32.5
Rotatable Bonds
4
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
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References
Bioactivity
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