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Chemical ID: 6735564
Chemical ID:
6735564
Name [?]:
None
SMILES [?]:
Cc1cccn2c1nc3c(c2=O)cc(n3C)C(=O)Nc4ccccc4
InChi [?]:
InChI=1/C19H16N4O2/c1-12-7-6-10-23-16(12)21-17-14(19(23)25)11-15(22(17)2)18(24)20-13-8-4-3-5-9-13/h3-11H,1-2H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,16,23,22,24,4,3,21,25,5,13,2,20,10,14,7,9,17,11,19,8,15,6,18,12/E:(4,5)(8,9)/rA:25nCCCCCNCNCCCOCCNCCONCCCCCC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;d9;s6s10;d11;s10;d13;s9s14;s15;s14;d17;s17;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N4O2 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2884 |
Area: | 519.9 |
Solvation: | -2.70907 |
Coulombic: | -51.2255 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 332.356 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.57 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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