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Chemical ID: 7659846
Chemical ID:
7659846
Name [?]:
None
SMILES [?]:
CC1(C(=O)Nc2ccccc2O1)c3nc(no3)c4ccncc4
InChi [?]:
InChI=1/C16H12N4O3/c1-16(14(21)18-11-4-2-3-5-12(11)22-16)15-19-13(20-23-15)10-6-8-17-9-7-10/h2-9H,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,8,9,7,10,19,23,20,22,18,6,11,15,3,13,2,21,5,14,16,4,12,17/E:(6,7)(8,9)/rA:23cCCCONCCCCCCOCNCNOCCCNCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s2;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12N4O3 |
All Atoms: | 35 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.03637 |
Area: | 480.008 |
Solvation: | -2.96382 |
Coulombic: | -48.3477 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.63 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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