Molecule

ID:47592

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁N₃
Molecular Mass
267.36874
Exact Mass
267.17354769
Charge
0
InChI
InChI=1S/C17H21N3/c18-16-8-4-5-9-17(16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h1-9H,10-14,18H2
InChIKey
KGTKQCBBMYJSFD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(c2c(N)cccc2)CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.2526096
LogD (pH = 7.4)
2.0291212
Log P
2.8239565
Molar Refractivity
85.8497
Polarizability
32.25529
Polar Surface Area
32.5
Rotatable Bonds
3
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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