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Chemical ID: 7729484
Chemical ID:
7729484
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1Cl)n2c3c(c(=O)n(cn3)CC(=O)NCCOC)nn2
InChi [?]:
InChI=1/C16H17ClN6O3/c1-10-3-4-11(7-12(10)17)23-15-14(20-21-23)16(25)22(9-19-15)8-13(24)18-5-6-26-2/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,24)
InChi Info:
AuxInfo=1/1/N:1,24,3,4,21,22,6,17,15,2,5,7,18,11,10,12,8,20,16,25,26,14,9,19,13,23/rA:26nCCCCCCCClNCCCONCNCCONCCOCNN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;s22;s23;s11;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17ClN6O3 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.66996 |
Area: | 593.985 |
Solvation: | -5.17967 |
Coulombic: | -55.6733 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.3 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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