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Chemical ID: 5793915
Chemical ID:
5793915
Name [?]:
2,4-dichloro-6-[[2-(4-methoxyphenyl)benzooxazol-6-yl]iminomethyl]phenol
SMILES [?]:
COc1ccc(cc1)c2nc3ccc(cc3o2)N=Cc4cc(cc(c4O)Cl)Cl
InChi [?]:
InChI=1/C21H14Cl2N2O3/c1-27-16-5-2-12(3-6-16)21-25-18-7-4-15(10-19(18)28-21)24-11-13-8-14(22)9-17(23)20(13)26/h2-11,26H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,13,4,8,12,21,23,15,19,6,20,22,14,3,24,11,16,25,9,28,27,18,10,26,2,17/E:(2,3)(5,6)/rA:28nCOCCCCCCCNCCCCCCONCCCCCCCOClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s14;w18;s19;s20;d21;s22;d23;d20s24;s25;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H14Cl2N2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6411 |
Area: | 594.975 |
Solvation: | -4.23326 |
Coulombic: | -44.2947 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 413.253 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.27 |
LogP (Chemaxon): | 6.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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