Chemical ID: 6147355

COc1ccc(c(c1)[NH+]=c2cc(oc3c2cc(cc3)Cl)c4ccccc4)OC
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

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