Molecule

ID:130435

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₉NO
Molecular Mass
347.49316
Exact Mass
347.22491455
Charge
0
InChI
InChI=1S/C24H29NO/c26-20-10-9-19-16-23-21-8-4-5-12-24(21,22(19)17-20)13-15-25(23)14-11-18-6-2-1-3-7-18/h1-3,6-7,9-10,17,21,23,26H,4-5,8,11-16H2/t21-,23+,24+/m0/s1
InChIKey
CFBQYWXPZVQQTN-QPTUXGOLSA-N
Canonic Smiles
Oc1ccc2c(c1)[C@]13CCCC[C@H]3[C@@H](C2)N(CC1)CCc1ccccc1
Isomeric Smiles
Oc1ccc2C[C@H]3N(CC[C@@]4(CCCC[C@@H]34)c2c1)CCc1ccccc1
Calculated Properties
JChem
Acid pKa
9.999367
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8688412
LogD (pH = 7.4)
2.2910092
Log P
4.3707323
Molar Refractivity
107.4485
Polarizability
41.782124
Polar Surface Area
23.47
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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