Chemical ID: 6843520

COc1ccc(cc1)c2cc(=Nc3ccc(c(c3)Cl)F)c4cc(ccc4o2)O
Chemical ID:
6843520
Name [?]:
4-(3-chloro-4-fluoro-phenyl)imino-2-(4-methoxyphenyl)-chromen-6-ol
SMILES [?]:
COc1ccc(cc1)c2cc(=Nc3ccc(c(c3)Cl)F)c4cc(ccc4o2)O
InChi [?]:
InChI=1/C22H15ClFNO3/c1-27-16-6-2-13(3-7-16)22-12-20(17-11-15(26)5-9-21(17)28-22)25-14-4-8-19(24)18(23)10-14/h2-12,26H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,14,24,4,8,15,25,18,22,10,6,13,23,3,21,17,16,11,26,9,19,20,12,28,2,27/E:(2,3)(6,7)/rA:28nCOCCCCCCCCCNCCCCCCClFCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s17;s16;s11;s21;d22;s23;d24;d21s25;s9s26;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15ClFNO3
All Atoms:43
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.24044
Area:568.362
Solvation:-4.96861
Coulombic:-40.9501
Bond Count [?]
All:31
Single:20
Double:11
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:395.811
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.58
LogP (Chemaxon):6.27

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