Chemical ID: 6901621

COc1ccc(cc1)c2cc(=Nc3cc(ccc3OC)OC)c4cc(ccc4o2)Cl
Chemical ID:
6901621
Name [?]:
6-chloro-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-chromen-4-imine
SMILES [?]:
COc1ccc(cc1)c2cc(=Nc3cc(ccc3OC)OC)c4cc(ccc4o2)Cl
InChi [?]:
InChI=1/C24H20ClNO4/c1-27-17-7-4-15(5-8-17)24-14-20(19-12-16(25)6-10-22(19)30-24)26-21-13-18(28-2)9-11-23(21)29-3/h4-14H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,5,7,26,4,8,16,27,17,24,14,10,6,25,3,15,23,11,13,28,18,9,30,12,2,21,19,29/E:(4,5)(7,8)/rA:30nCOCCCCCCCCCNCCCCCCOCOCCCCCCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s15;s21;s11;s23;d24;s25;d26;d23s27;s9s28;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20ClNO4
All Atoms:50
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.17565
Area:605.582
Solvation:-5.96391
Coulombic:-36.0555
Bond Count [?]
All:33
Single:22
Double:11
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:421.873
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.66
LogP (Chemaxon):5.9

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Descriptor Annotations

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