Chemical ID: 7702800

c1ccc(c(c1)C(=O)NN=Cc2cccc(c2)OC(=O)c3ccc(cc3)Cl)I
Chemical ID:
7702800
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C(=O)NN=Cc2cccc(c2)OC(=O)c3ccc(cc3)Cl)I
InChi [?]:
InChI=1/C21H14ClIN2O3/c22-16-10-8-15(9-11-16)21(27)28-17-5-3-4-14(12-17)13-24-25-20(26)18-6-1-2-7-19(18)23/h1-13H,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,15,6,3,22,26,23,25,17,11,12,21,24,16,5,4,7,19,27,28,10,9,8,20,18/E:(8,9)(10,11)/rA:28nCCCCCCCONNCCCCCCCOCOCCCCCCClI/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14ClIN2O3
All Atoms:42
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:12.4908
Area:663.977
Solvation:-4.10861
Coulombic:-41.2818
Bond Count [?]
All:30
Single:18
Double:12
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:7.19
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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