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Chemical ID: 6901613
Chemical ID:
6901613
Name [?]:
3-[6-chloro-2-(4-methoxyphenyl)-chromen-4-ylidene]aminophenol
SMILES [?]:
COc1ccc(cc1)c2cc(=Nc3cccc(c3)O)c4cc(ccc4o2)Cl
InChi [?]:
InChI=1/C22H16ClNO3/c1-26-18-8-5-14(6-9-18)22-13-20(24-16-3-2-4-17(25)12-16)19-11-15(23)7-10-21(19)27-22/h2-13,25H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,5,7,23,4,8,24,21,18,10,6,22,13,17,3,20,11,25,9,27,12,19,2,26/E:(5,6)(8,9)/rA:27nCOCCCCCCCCCNCCCCCCOCCCCCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s17;s11;s20;d21;s22;d23;d20s24;s9s25;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16ClNO3 |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.81634 |
Area: | 555.033 |
Solvation: | -4.0595 |
Coulombic: | -38.5091 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 377.82 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.42 |
LogP (Chemaxon): | 6.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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