Chemical ID: 4703519

c1ccc2c(c1)ccc3c2C4C(CO3)CON4C(=O)c5cccs5
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

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Experimental Annotations

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Descriptor Annotations

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