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Chemical ID: 5238704
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
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Experimental Annotations
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Descriptor Annotations
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