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Chemical ID: 6638519
Chemical ID:
6638519
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CCc3c2[nH]nc3C(=O)NN=Cc4cccc(c4)O
InChi [?]:
InChI=1/C19H16N4O2/c24-14-6-3-4-12(10-14)11-20-23-19(25)18-16-9-8-13-5-1-2-7-15(13)17(16)21-22-18/h1-7,10-11,24H,8-9H2,(H,21,22)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,6,22,3,7,8,24,18,19,5,23,4,9,10,13,14,17,11,12,16,25,15/rA:25nCCCCCCCCCCNNCCONNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4d9;s10;s11;s9d12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N4O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.40886 |
Area: | 528.575 |
Solvation: | -3.80552 |
Coulombic: | -47.3696 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 332.356 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.26 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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