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Chemical ID: 7704753
Chemical ID:
7704753
Name [?]:
None
SMILES [?]:
CCOc1ccccc1C=NNC(=O)COc2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C17H16Cl2N2O3/c1-2-23-14-8-4-3-6-12(14)10-20-21-16(22)11-24-15-9-5-7-13(18)17(15)19/h3-10H,2,11H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,19,8,20,5,18,10,15,9,21,4,17,13,22,24,23,11,12,14,3,16/rA:24nCCOCCCCCCCNNCOCOCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16Cl2N2O3 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.32371 |
Area: | 575.98 |
Solvation: | -8.07578 |
Coulombic: | -31.955 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.26 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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