Molecule

ID:122892

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₄
Molecular Mass
393.47548
Exact Mass
393.19400835
Charge
0
InChI
InChI=1S/C20H23N.C4H4O4/c1-15-18-9-5-4-8-16(18)14-17(12-13-21(2)3)20-11-7-6-10-19(15)20;5-3(6)1-2-4(7)8/h4-11,17H,1,12-14H2,2-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
PXERCSFUPPSBIT-BTJKTKAUSA-N
Canonic Smiles
CN(CCC1Cc2ccccc2C(=C)c2c1cccc2)C.OC(=O)/C=C\C(=O)O
Isomeric Smiles
C1(=C)c2c(C(Cc3c1cccc3)CCN(C)C)cccc2.C(=O)(/C=C\C(=O)O)O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3147336
LogD (pH = 7.4)
2.567547
Log P
4.709919
Molar Refractivity
100.3823
Polarizability
35.253765
Polar Surface Area
3.24
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation