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Chemical ID: 7704690
Chemical ID:
7704690
Name [?]:
None
SMILES [?]:
C=CCOc1ccccc1C=NNC(=O)COc2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C18H16Cl2N2O3/c1-2-10-24-15-8-4-3-6-13(15)11-21-22-17(23)12-25-16-9-5-7-14(19)18(16)20/h2-9,11H,1,10,12H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,20,9,21,6,19,3,11,16,10,22,5,18,14,23,25,24,12,13,15,4,17/rA:25nCCCOCCCCCCCNNCOCOCCCCCCClCl/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16Cl2N2O3 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.74335 |
Area: | 595.888 |
Solvation: | -8.15386 |
Coulombic: | -33.6346 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.45 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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