Molecule

ID:4489

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₈N₂
Molecular Mass
332.48182
Exact Mass
332.22524891
Charge
0
InChI
InChI=1S/C23H28N2/c1-18-11-13-21(14-12-18)25-17-20(22-9-5-6-10-23(22)25)16-24-15-19-7-3-2-4-8-19/h5-6,9-14,17,19,24H,2-4,7-8,15-16H2,1H3
InChIKey
MMIJMYOYKAKQPN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)n1cc(c2c1cccc2)CNCC1CCCCC1
Isomeric Smiles
n1(c2c(c(c1)CNCC1CCCCC1)cccc2)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9707612
LogD (pH = 7.4)
2.7643313
Log P
5.5479
Molar Refractivity
116.1723
Polarizability
43.321854
Polar Surface Area
16.96
Rotatable Bonds
5
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
5.82
LOG S
-5.46
Solubility (Water)
1.16e-03 g/l
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
References
Bioactivity
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