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Chemical ID: 4704692
Chemical ID:
4704692
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c4c(o3)cno4
InChi [?]:
InChI=1/C13H7NO2/c1-2-4-9-8(3-1)5-6-10-12(9)13-11(15-10)7-14-16-13/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,14,5,4,9,12,10,11,15,13,16/rA:16nCCCCCCCCCCCCOCNO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s9s12;s12;d14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.97285 |
Area: | 359.607 |
Solvation: | -2.01731 |
Coulombic: | -14.1484 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 209.2 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.75 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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