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Chemical ID: 7678555
Chemical ID:
7678555
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)n2c3c(c(=O)n(cn3)CC(=O)N4CCCCC4)nn2
InChi [?]:
InChI=1/C17H17ClN6O2/c18-12-5-4-6-13(9-12)24-16-15(20-21-24)17(26)23(11-19-16)10-14(25)22-7-2-1-3-8-22/h4-6,9,11H,1-3,7-8,10H2
InChi Info:
AuxInfo=1/0/N:22,21,23,1,6,2,20,24,4,16,14,5,3,17,10,9,11,7,15,25,26,19,13,8,18,12/E:(2,3)(7,8)/rA:26nCCCCCCClNCCCONCNCCONCCCCCNN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s20;s21;s22;s19s23;s10;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17ClN6O2 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6758 |
Area: | 568.475 |
Solvation: | -3.53611 |
Coulombic: | -44.1488 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.27 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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