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Chemical ID: 7670027
Chemical ID:
7670027
Name [?]:
None
SMILES [?]:
Cc1cc2[nH]c(cc(=O)n2n1)N(c3cc(nn3C(=O)C)C)C(=O)C
InChi [?]:
InChI=1/C15H16N6O3/c1-8-5-13-16-12(7-15(24)21(13)18-8)19(10(3)22)14-6-9(2)17-20(14)11(4)23/h5-7,16H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,24,20,3,14,7,2,15,22,18,6,4,13,8,5,16,11,12,17,10,23,19,9/rA:24nCCCCNCCCONNNCCCNNCOCCCOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s4s8;d2s10;s6;s12;d13;s14;d15;s13s16;s17;d18;s18;s15;s12;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N6O3 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.91751 |
Area: | 511.508 |
Solvation: | -4.87018 |
Coulombic: | -51.0474 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.35 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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