ChemDB: Chemical Search
Download
Chemical ID: 4703519
Chemical ID:
4703519
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2C4C(CO3)CON4C(=O)c5cccs5
InChi [?]:
InChI=1/C19H15NO3S/c21-19(16-6-3-9-24-16)20-18-13(11-23-20)10-22-15-8-7-12-4-1-2-5-14(12)17(15)18/h1-9,13,18H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,22,6,3,21,7,8,23,13,15,5,12,4,9,20,10,11,18,17,19,14,16,24/rA:24cCCCCCCCCCCCCCOCONCOCCCCS/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s9s13;s12;s15;s11s16;s17;d18;s18;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15NO3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.11866 |
Area: | 473.4 |
Solvation: | -3.71635 |
Coulombic: | -26.5298 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 337.393 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.31 |
LogP (Chemaxon): | 3.21 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|