Chemical ID: 7722079

COc1ccc(cc1)N2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)Cl
Chemical ID:
7722079
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)N2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C24H16ClNO4/c1-29-17-12-10-16(11-13-17)26-21(14-6-8-15(25)9-7-14)20-22(27)18-4-2-3-5-19(18)30-23(20)24(26)28/h2-13,21H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,15,18,25,29,26,28,5,7,4,8,24,27,6,3,14,19,11,10,12,21,22,30,9,13,23,2,20/E:(6,7)(8,9)(10,11)(12,13)/rA:30cCOCCCCCCNCCCOCCCCCCOCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s10;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H16ClNO4
All Atoms:46
Heavy Atoms:30
Chiral Atoms:None
ZAP Information [?]
Total:10.8056
Area:603.501
Solvation:-4.28193
Coulombic:-43.6456
Bond Count [?]
All:34
Single:22
Double:12
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.52
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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