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Chemical ID: 7293648
Chemical ID:
7293648
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c(co3)CC(=O)NCc4ccncc4
InChi [?]:
InChI=1/C20H16N2O2/c23-19(22-12-14-7-9-21-10-8-14)11-16-13-24-18-6-5-15-3-1-2-4-17(15)20(16)18/h1-10,13H,11-12H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,20,24,21,23,14,18,12,19,5,11,4,9,15,10,22,17,16,13/E:(7,8)(9,10)/rA:24nCCCCCCCCCCCCOCCONCCCCNCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s9s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N2O2 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77692 |
Area: | 522.804 |
Solvation: | -4.29317 |
Coulombic: | -32.4251 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 316.353 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.92 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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