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Chemical ID: 6638520
Chemical ID:
6638520
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CCc3c2[nH]nc3C(=O)NN=Cc4ccccc4O
InChi [?]:
InChI=1/C19H16N4O2/c24-16-8-4-2-6-13(16)11-20-23-19(25)18-15-10-9-12-5-1-3-7-14(12)17(15)21-22-18/h1-8,11,24H,9-10H2,(H,21,22)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,21,2,22,6,20,3,23,7,8,18,5,19,4,9,24,10,13,14,17,11,12,16,25,15/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;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N4O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.48581 |
Area: | 525.857 |
Solvation: | -3.66061 |
Coulombic: | -47.8658 |
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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