Chemical ID: 5390678

CC(=O)c1cccc(c1)NC(=O)COC(=O)c2ccc3c(c2)OCCO3
Chemical ID:
5390678
Name [?]:
(3-acetylphenyl)carbamoylmethyl 2,5-dioxabicyclo[4.4.0]deca-7,9,11-triene-8-carboxylate
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)COC(=O)c2ccc3c(c2)OCCO3
InChi [?]:
InChI=1/C19H17NO6/c1-12(21)13-3-2-4-15(9-13)20-18(22)11-26-19(23)14-5-6-16-17(10-14)25-8-7-24-16/h2-6,9-10H,7-8,11H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,18,19,25,24,9,22,13,2,4,17,8,20,21,11,15,10,3,12,16,26,23,14/rA:26nCCOCCCCCCNCOCOCOCCCCCCOCCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s24;s20s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO6
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.10254
Area:573.947
Solvation:-6.24614
Coulombic:-62.8722
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:355.341
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.16
LogP (Chemaxon):1.3

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue