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Chemical ID: 7405048
Chemical ID:
7405048
Name [?]:
None
SMILES [?]:
Cc1c(oc2n1c3c(n2)n(c(=O)n(c3=O)Cc4ccccc4)C)C
InChi [?]:
InChI=1/C17H16N4O3/c1-10-11(2)24-16-18-14-13(21(10)16)15(22)20(17(23)19(14)3)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,23,20,19,21,18,22,16,2,3,17,7,8,14,5,11,9,10,13,6,15,12,4/E:(5,6)(7,8)/rA:24nCCCOCNCCNNCONCOCCCCCCCCC/rB:s1;d2;s3;s4;s2s5;s6;d7;d5s8;s8;s10;d11;s11;s7s13;d14;s13;s16;s17;d18;s19;d20;d17s21;s10;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N4O3 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.87842 |
Area: | 491.03 |
Solvation: | -2.39733 |
Coulombic: | -57.8584 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 324.334 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.16 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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