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Chemical ID: 6147355
Chemical ID:
6147355
Name [?]:
(6-chloro-2-phenyl-chromen-4-ylidene)-(2,5-dimethoxyphenyl)-ammonium
SMILES [?]:
COc1ccc(c(c1)[NH+]=c2cc(oc3c2cc(cc3)Cl)c4ccccc4)OC
InChi [?]:
InChI=1/C23H18ClNO3/c1-26-17-9-11-22(27-2)20(13-17)25-19-14-23(15-6-4-3-5-7-15)28-21-10-8-16(24)12-18(19)21/h3-14H,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,28,24,23,25,22,26,18,4,19,5,16,8,11,21,17,3,15,10,7,14,6,12,20,9,2,27,13/E:(4,5)(6,7)/rA:28nCOCCCCCCN+CCCOCCCCCCClCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s12;s13;s10s14;d15;s16;d17;d14s18;s17;s12;s21;d22;s23;d24;d21s25;s6;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19ClNO3+ |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -18.1009 |
Area: | 598.03 |
Solvation: | -33.0516 |
Coulombic: | -15.3672 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 392.855 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.18 |
LogP (Chemaxon): | 6.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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