Molecule

ID:89496

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁N₃
Molecular Mass
267.36874
Exact Mass
267.17354769
Charge
0
InChI
InChI=1S/C17H21N3/c1-14-3-2-4-17(13-14)20-11-9-19(10-12-20)16-7-5-15(18)6-8-16/h2-8,13H,9-12,18H2,1H3
InChIKey
BWMZHVXXYOPLAK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)C
Isomeric Smiles
N1(c2cc(ccc2)C)CCN(c2ccc(cc2)N)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9539578
LogD (pH = 7.4)
3.4902396
Log P
3.504025
Molar Refractivity
86.7768
Polarizability
31.775566
Polar Surface Area
32.5
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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