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Chemical ID: 7678616
Chemical ID:
7678616
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)Cl
InChi [?]:
InChI=1/C20H17ClN6O2/c1-12-6-7-16(13(2)8-12)23-17(28)10-26-11-22-19-18(20(26)29)24-25-27(19)15-5-3-4-14(21)9-15/h3-9,11H,10H2,1-2H3,(H,23,28)
InChi Info:
AuxInfo=1/1/N:1,8,25,26,24,3,4,7,28,12,14,2,6,27,23,5,10,17,16,18,29,15,9,20,21,13,22,11,19/rA:29nCCCCCCCCNCOCNCNCCCONNNCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s15;d16;s13s17;d18;s17;d20;s16s21;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17ClN6O2 |
All Atoms: | 46 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.7969 |
Area: | 627.738 |
Solvation: | -3.89658 |
Coulombic: | -48.6563 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.49 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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