Molecule

ID:62437

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁ClN₂
Molecular Mass
288.81504
Exact Mass
288.13932636
Charge
0
InChI
InChI=1S/C17H21ClN2/c1-12-6-5-7-13-10-14(17(18)20-16(12)13)11-19-15-8-3-2-4-9-15/h5-7,10,15,19H,2-4,8-9,11H2,1H3
InChIKey
QZAREIXBDJCHKW-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2c(cc1CNC1CCCCC1)cccc2C
Isomeric Smiles
n1c(c(cc2c1c(ccc2)C)CNC1CCCCC1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7340049
LogD (pH = 7.4)
3.104473
Log P
4.8261633
Molar Refractivity
85.1488
Polarizability
34.364353
Polar Surface Area
24.92
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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