Chemical ID: 5238704

c1ccc2c(c1)ccc3c2nccc3C(=O)O
Chemical ID:
5238704
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2nccc3C(=O)O
InChi [?]:
InChI=1/C14H9NO2/c16-14(17)12-7-8-15-13-10-4-2-1-3-9(10)5-6-11(12)13/h1-8H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,13,12,5,4,9,14,10,15,11,16,17/E:(16,17)/rA:17nCCCCCCCCCCNCCCCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s9d13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.59369
Area:380.44
Solvation:-1.91732
Coulombic:-34.3346
Bond Count [?]
All:19
Single:11
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:223.227
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.01
LogP (Chemaxon):2.65

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