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Chemical ID: 4923555
Chemical ID:
4923555
Name [?]:
None
SMILES [?]:
c1ccc(cc1)n2c(=O)n3n(c2=O)-c4cc5ccccc5cc4C3
InChi [?]:
InChI=1/C19H13N3O2/c23-18-20-12-15-10-13-6-4-5-7-14(13)11-17(15)22(20)19(24)21(18)16-8-2-1-3-9-16/h1-11H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,19,18,20,17,3,5,22,15,24,21,16,23,4,14,8,12,10,7,11,9,13/E:(2,3)(8,9)/rA:24nCCCCCCNCONNCOCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s7s11;d12;s11;s14;d15;s16;d17;s18;d19;s16s20;d21;d14s22;s10s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H13N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3447 |
Area: | 486.792 |
Solvation: | -1.82514 |
Coulombic: | -42.2436 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 315.326 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.04 |
LogP (Chemaxon): | 3.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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