Molecule

ID:5138

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₀NO+
Molecular Mass
348.5011
Exact Mass
348.23273959
Charge
1
InChI
InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1/t19-,20+,21-
InChIKey
BADPXOSJBUEVTR-WKCHPHFGSA-N
Canonic Smiles
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](C2)OC1c2ccccc2CCc2c1cccc2
Isomeric Smiles
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)OC1c2ccccc2CCc2ccccc12
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.58618075
LogD (pH = 7.4)
0.58618075
Log P
0.58618075
Molar Refractivity
118.4342
Polarizability
41.870964
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.31
LOG S
-8.14
Solubility (Water)
2.76e-06 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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