Molecule

ID:21329

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉NO₄
Molecular Mass
313.34776
Exact Mass
313.13140809
Charge
0
InChI
InChI=1S/C18H19NO4/c1-21-18(20)17-11-16(12-19-17)23-15-9-7-14(8-10-15)22-13-5-3-2-4-6-13/h2-10,16-17,19H,11-12H2,1H3/t16-,17-/m0/s1
InChIKey
ZWCLZCMRVUPRJD-IRXDYDNUSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
N1[C@H](C(=O)OC)C[C@H](Oc2ccc(Oc3ccccc3)cc2)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6566327
LogD (pH = 7.4)
2.67888
Log P
2.735494
Molar Refractivity
84.652
Polarizability
33.942474
Polar Surface Area
56.79
Rotatable Bonds
6
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