Chemical ID: 6705730

Cc1ccc(cc1)N2C(=O)c3cccc4c3c(ccc4C(=O)[O-])C2=O
Chemical ID:
6705730
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)N2C(=O)c3cccc4c3c(ccc4C(=O)[O-])C2=O
InChi [?]:
InChI=1/C20H13NO4/c1-11-5-7-12(8-6-11)21-18(22)15-4-2-3-13-14(20(24)25)9-10-16(17(13)15)19(21)23/h2-10H,1H3,(H,24,25)/p-1
InChi Info:
AuxInfo=1/1/N:1,13,14,12,3,7,4,6,19,18,2,5,15,20,11,17,16,9,24,21,8,10,25,22,23/E:(5,6)(7,8)(24,25)/rA:25nCCCCCCCNCOCCCCCCCCCCCOO-CO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;s20;d21;s21;s8s17;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12NO4-
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-28.367
Area:498.188
Solvation:-40.8217
Coulombic:-31.2286
Bond Count [?]
All:28
Single:17
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:330.314
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.54
LogP (Chemaxon):3.29

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Descriptor Annotations

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