Chemical ID: 5259199

CC(=O)n1c2ccccc2c3c1oc(c3C(=O)OC)C(=O)OC
Chemical ID:
5259199
Name [?]:
None
SMILES [?]:
CC(=O)n1c2ccccc2c3c1oc(c3C(=O)OC)C(=O)OC
InChi [?]:
InChI=1/C16H13NO6/c1-8(18)17-10-7-5-4-6-9(10)11-12(15(19)21-2)13(16(20)22-3)23-14(11)17/h4-7H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,23,8,7,9,6,2,10,5,11,15,14,12,16,20,4,3,17,21,18,22,13/rA:23nCCONCCCCCCCCOCCCOOCCOOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s4d11;s12;s13;s11d14;s15;d16;s16;s18;s14;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13NO6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.6958
Area:497.318
Solvation:-3.73714
Coulombic:-61.863
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:315.278
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.8
LogP (Chemaxon):1.61

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Descriptor Annotations

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