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Chemical ID: 7703541
Chemical ID:
7703541
Name [?]:
None
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)NC(=O)C(=O)NN=Cc2ccc(cc2)O
InChi [?]:
InChI=1/C15H11Cl2N3O3/c16-11-2-1-3-12(13(11)17)19-14(22)15(23)20-18-8-9-4-6-10(21)7-5-9/h1-8,21H,(H,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,6,2,18,22,19,21,16,17,20,5,3,4,10,12,7,8,15,9,14,23,11,13/E:(4,5)(6,7)/rA:23nCCCCCCClClNCOCONNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11Cl2N3O3 |
All Atoms: | 34 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.2307 |
Area: | 560.302 |
Solvation: | -3.77682 |
Coulombic: | -61.2113 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.86 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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