Chemical ID: 6863729

Cn1c2cccc3c2c(c(c1=O)C(=O)OC)-c4ccccc4C3=O
Chemical ID:
6863729
Name [?]:
None
SMILES [?]:
Cn1c2cccc3c2c(c(c1=O)C(=O)OC)-c4ccccc4C3=O
InChi [?]:
InChI=1/C19H13NO4/c1-20-13-9-5-8-12-14(13)15(16(18(20)22)19(23)24-2)10-6-3-4-7-11(10)17(12)21/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,19,20,5,18,21,6,4,17,22,7,3,8,9,10,23,11,13,2,24,12,14,15/rA:24nCNCCCCCCCCCOCOOCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s2s10;d11;s10;d13;s13;s15;s9;s17;d18;s19;d20;d17s21;s7s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13NO4
All Atoms:37
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.53931
Area:468.154
Solvation:-3.16455
Coulombic:-45.1786
Bond Count [?]
All:27
Single:17
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:319.311
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.63
LogP (Chemaxon):2.59

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