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Chemical ID: 6863729
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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