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Chemical ID: 6901616
Chemical ID:
6901616
Name [?]:
6-chloro-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)-chromen-4-imine
SMILES [?]:
COc1ccc(cc1)c2cc(=Nc3cccc(c3)OC)c4cc(ccc4o2)Cl
InChi [?]:
InChI=1/C23H18ClNO3/c1-26-18-9-6-15(7-10-18)23-14-21(20-12-16(24)8-11-22(20)28-23)25-17-4-3-5-19(13-17)27-2/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,15,14,16,5,7,24,4,8,25,22,18,10,6,23,13,3,17,21,11,26,9,28,12,2,19,27/E:(6,7)(9,10)/rA:28nCOCCCCCCCCCNCCCCCCOCCCCCCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;s11;s21;d22;s23;d24;d21s25;s9s26;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18ClNO3 |
All Atoms: | 46 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91019 |
Area: | 573.926 |
Solvation: | -4.43795 |
Coulombic: | -29.8227 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 391.847 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.74 |
LogP (Chemaxon): | 6.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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