Chemical ID: 4143824

c1cc(ccc1[N+](=O)[O-])OCC(=O)Nc2ccc3c(c2)OCCO3
Chemical ID:
4143824
Name [?]:
N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-2-(4-nitrophenoxy)-acetamide
SMILES [?]:
c1cc(ccc1[N+](=O)[O-])OCC(=O)Nc2ccc3c(c2)OCCO3
InChi [?]:
InChI=1/C16H14N2O6/c19-16(10-24-13-4-2-12(3-5-13)18(20)21)17-11-1-6-14-15(9-11)23-8-7-22-14/h1-6,9H,7-8,10H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:16,1,5,2,4,17,23,22,20,11,15,6,3,18,19,12,14,7,13,8,9,24,21,10/E:(2,3)(4,5)(20,21)/CRV:18.5/rA:24nCCCCCCN+OO-OCCONCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s21;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O6
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:1.67339
Area:529.437
Solvation:-11.5625
Coulombic:-53.6041
Bond Count [?]
All:26
Single:18
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:330.292
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.06
LogP (Chemaxon):2.15

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