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Chemical ID: 4964408
Chemical ID:
4964408
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)n3c4ccccc4oc3n2
InChi [?]:
InChI=1/C14H8N2O2/c17-13-9-5-1-2-6-10(9)15-14-16(13)11-7-3-4-8-12(11)18-14/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,12,13,6,3,11,14,5,4,10,15,7,17,18,9,8,16/rA:18nCCCCCCCONCCCCCCOCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s9s16;s4d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.89445 |
Area: | 386.288 |
Solvation: | -1.76274 |
Coulombic: | -33.8712 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 236.226 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.36 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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