Chemical ID: 6700993

c1ccc2c(c1)ccc3c2[nH]cc(c3=O)C(=O)[O-]
Chemical ID:
6700993
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2[nH]cc(c3=O)C(=O)[O-]
InChi [?]:
InChI=1/C14H9NO3/c16-13-10-6-5-8-3-1-2-4-9(8)12(10)15-7-11(13)14(17)18/h1-7H,(H,15,16)(H,17,18)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,12,5,4,9,13,10,14,16,11,15,17,18/E:(17,18)/rA:18nCCCCCCCCCCNCCCOCOO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s9s13;d14;s13;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8NO3-
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-34.8103
Area:394.514
Solvation:-44.6732
Coulombic:-20.1799
Bond Count [?]
All:20
Single:12
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:238.218
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.11
LogP (Chemaxon):2.51

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