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Chemical ID: 7655478
Chemical ID:
7655478
Name [?]:
None
SMILES [?]:
CCN(CC)c1ccc(cc1)C=NNC(=O)C(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C19H20Cl2N4O2/c1-3-25(4-2)15-8-5-13(6-9-15)12-22-24-19(27)18(26)23-14-7-10-16(20)17(21)11-14/h5-12H,3-4H2,1-2H3,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,10,21,7,11,22,25,12,9,20,6,23,24,17,15,27,26,13,19,14,3,18,16/E:(1,2)(3,4)(5,6)(8,9)/rA:27nCCNCCCCCCCCCNNCOCONCCCCCCClCl/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20Cl2N4O2 |
All Atoms: | 47 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.0521 |
Area: | 657.95 |
Solvation: | -3.39661 |
Coulombic: | -51.2526 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.32 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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