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Chemical ID: 4911461
Chemical ID:
4911461
Name [?]:
None
SMILES [?]:
c1cc2cccc3c2c(c1)N=C4N3C(=O)OC4
InChi [?]:
InChI=1/C13H8N2O2/c16-13-15-10-6-2-4-8-3-1-5-9(12(8)10)14-11(15)7-17-13/h1-6H,7H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,6,17,3,9,7,12,8,14,11,13,15,16/rA:17nCCCCCCCCCCNCNCOOC/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;d11;s7s12;s13;d14;s14;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8N2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.11698 |
Area: | 362.142 |
Solvation: | -1.93656 |
Coulombic: | -35.0318 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 224.215 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.82 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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