Molecule

ID:60284

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₁N₃
Molecular Mass
303.40084
Exact Mass
303.17354769
Charge
0
InChI
InChI=1S/C20H21N3/c1-22-9-7-17-11-15(3-5-19(17)22)13-21-14-16-4-6-20-18(12-16)8-10-23(20)2/h3-12,21H,13-14H2,1-2H3
InChIKey
GHHYNBFYSXFDGQ-UHFFFAOYSA-N
Canonic Smiles
Cn1ccc2c1ccc(c2)CNCc1ccc2c(c1)ccn2C
Isomeric Smiles
c1(ccc2c(c1)ccn2C)CNCc1ccc2c(c1)ccn2C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.7999558
LogD (pH = 7.4)
2.1497166
Log P
3.900944
Molar Refractivity
95.885
Polarizability
39.27494
Polar Surface Area
21.89
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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