Chemical ID: 4900543

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)[N+](=O)[O-])c5nc(c(s5)C)C
Chemical ID:
4900543
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)[N+](=O)[O-])c5nc(c(s5)C)C
InChi [?]:
InChI=1/C23H17N3O5S/c1-11-4-9-17-16(10-11)20(27)18-19(14-5-7-15(8-6-14)26(29)30)25(22(28)21(18)31-17)23-24-12(2)13(3)32-23/h4-10,19H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,32,31,3,18,22,19,21,4,7,2,28,29,17,20,6,5,10,16,8,11,13,26,27,15,23,9,14,24,25,12,30/E:(5,6)(7,8)(29,30)/CRV:26.5/rA:32cCCCCCCCCOCCOCONCCCCCCCN+OO-CNCCSCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s15;d26;s27;d28;s26s29;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17N3O5S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:7.32106
Area:639.53
Solvation:-8.66719
Coulombic:-51.7146
Bond Count [?]
All:36
Single:24
Double:12
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:447.464
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.16
LogP (Chemaxon):4.19

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Descriptor Annotations

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