Chemical ID: 6336358

c1ccc2c(c1)c3ccccc3c(=O)n(c2=O)c4ccc(cc4)OCC(=O)O
Chemical ID:
6336358
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3ccccc3c(=O)n(c2=O)c4ccc(cc4)OCC(=O)O
InChi [?]:
InChI=1/C22H15NO5/c24-20(25)13-28-15-11-9-14(10-12-15)23-21(26)18-7-3-1-5-16(18)17-6-2-4-8-19(17)22(23)27/h1-12H,13H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,6,8,3,11,19,23,20,22,25,18,21,5,7,4,12,26,16,13,15,27,28,17,14,24/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(16,17)(18,19)(21,22)(24,25)(26,27)/rA:28nCCCCCCCCCCCCCONCOCCCCCCOCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s12;d13;s13;s4s15;d16;s15;s18;d19;s20;d21;d18s22;s21;s24;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15NO5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.06062
Area:557.249
Solvation:-4.87061
Coulombic:-62.7149
Bond Count [?]
All:31
Single:19
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:373.358
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.94
LogP (Chemaxon):2.98

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Descriptor Annotations

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