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Chemical ID: 6901661
Chemical ID:
6901661
Name [?]:
6-chloro-2-(3,4-dimethoxyphenyl)-N-phenyl-chromen-4-imine
SMILES [?]:
COc1ccc(cc1OC)c2cc(=Nc3ccccc3)c4cc(ccc4o2)Cl
InChi [?]:
InChI=1/C23H18ClNO3/c1-26-21-10-8-15(12-23(21)27-2)22-14-19(25-17-6-4-3-5-7-17)18-13-16(24)9-11-20(18)28-22/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,18,17,19,16,20,5,24,4,25,7,22,12,6,23,15,21,13,26,3,11,8,28,14,2,9,27/E:(4,5)(6,7)/rA:28nCOCCCCCCOCCCCNCCCCCCCCCCCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s13;s21;d22;s23;d24;d21s25;s11s26;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18ClNO3 |
All Atoms: | 46 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.22372 |
Area: | 574.26 |
Solvation: | -5.13277 |
Coulombic: | -29.9261 |
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: | 5.47 |
LogP (Chemaxon): | 6.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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