Chemical ID: 5128507

c1ccc2c(c1)-c3ccccc3C4C2CC(=O)OC4C(=O)O
Chemical ID:
5128507
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C4C2CC(=O)OC4C(=O)O
InChi [?]:
InChI=1/C18H14O4/c19-15-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)16(14)17(22-15)18(20)21/h1-8,14,16-17H,9H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,9,10,6,8,3,11,15,5,7,4,12,14,16,13,19,20,17,21,22,18/E:(20,21)/rA:22cCCCCCCCCCCCCCCCCOOCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s12;s4s13;s14;s15;d16;s16;s13s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:3
ZAP Information [?]
Total:6.96517
Area:434.454
Solvation:-3.89618
Coulombic:-46.1027
Bond Count [?]
All:25
Single:17
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:294.301
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.74
LogP (Chemaxon):2.95

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