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Chemical ID: 7703117
Chemical ID:
7703117
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C=NNC(=O)c2ccccc2OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H17ClN2O2/c22-18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)21(25)24-23-14-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,15,3,5,13,16,21,25,22,24,7,19,4,20,23,12,17,10,26,8,9,11,18/E:(2,3)(6,7)(10,11)(12,13)/rA:26nCCCCCCCNNCOCCCCCCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17ClN2O2 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.68779 |
Area: | 611.81 |
Solvation: | -5.60746 |
Coulombic: | -29.0587 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.24 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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