Chemical ID: 6891379

COc1ccc(cc1)c2cc(=Nc3cccc[nH+]3)c4cc(ccc4o2)O
Chemical ID:
6891379
Name [?]:
2-(4-methoxyphenyl)-4-(1H-pyridin-2-ylimino)chromen-6-ol
SMILES [?]:
COc1ccc(cc1)c2cc(=Nc3cccc[nH+]3)c4cc(ccc4o2)O
InChi [?]:
InChI=1/C21H16N2O3/c1-25-16-8-5-14(6-9-16)20-13-18(23-21-4-2-3-11-22-21)17-12-15(24)7-10-19(17)26-20/h2-13,24H,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,15,16,14,5,7,22,4,8,23,17,20,10,6,21,3,19,11,24,9,13,18,12,26,2,25/E:(5,6)(8,9)/rA:26nCOCCCCCCCCCNCCCCCN+CCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s21;d22;d19s23;s9s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17N2O3+
All Atoms:43
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-22.918
Area:528.808
Solvation:-36.1382
Coulombic:-28.2815
Bond Count [?]
All:29
Single:18
Double:11
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:345.371
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.27
LogP (Chemaxon):4.99

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