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Chemical ID: 6907447
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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