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Chemical ID: 4341923
Chemical ID:
4341923
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2cc(c(=O)o3)C(=O)Nc4ccncc4
InChi [?]:
InChI=1/C19H12N2O3/c22-18(21-13-7-9-20-10-8-13)16-11-15-14-4-2-1-3-12(14)5-6-17(15)24-19(16)23/h1-11H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,20,24,21,23,11,5,19,4,10,12,9,16,13,22,18,17,14,15/E:(7,8)(9,10)/rA:24nCCCCCCCCCCCCCOOCONCCCNCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;d13;s9s13;s12;d16;s16;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H12N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97659 |
Area: | 500.121 |
Solvation: | -4.52644 |
Coulombic: | -43.5199 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 316.31 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.68 |
LogP (Chemaxon): | 2.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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