Chemical ID: 6907447

COc1ccc(cc1)c2cc(=Nc3cc(ccc3O)Cl)c4cc(ccc4o2)OC
Chemical ID:
6907447
Name [?]:
4-chloro-2-[6-methoxy-2-(4-methoxyphenyl)-chromen-4-ylidene]amino-phenol
SMILES [?]:
COc1ccc(cc1)c2cc(=Nc3cc(ccc3O)Cl)c4cc(ccc4o2)OC
InChi [?]:
InChI=1/C23H18ClNO4/c1-27-16-6-3-14(4-7-16)23-13-19(25-20-11-15(24)5-9-21(20)26)18-12-17(28-2)8-10-22(18)29-23/h3-13,26H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,5,7,16,4,8,24,17,25,14,22,10,6,15,3,23,21,11,13,18,26,9,20,12,19,2,28,27/E:(3,4)(6,7)/rA:29nCOCCCCCCCCCNCCCCCCOClCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s18;s15;s11;s21;d22;s23;d24;d21s25;s9s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18ClNO4
All Atoms:47
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.58537
Area:593.943
Solvation:-5.2632
Coulombic:-45.0013
Bond Count [?]
All:32
Single:21
Double:11
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:407.846
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.34
LogP (Chemaxon):5.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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