Chemical ID: 6857478

Cc1ccc2c(c1)c(=Nc3ccc(c(c3)Cl)F)cc(o2)c4ccc(cc4)OC
Chemical ID:
6857478
Name [?]:
N-(3-chloro-4-fluoro-phenyl)-2-(4-methoxyphenyl)-6-methyl-chromen-4-imine
SMILES [?]:
Cc1ccc2c(c1)c(=Nc3ccc(c(c3)Cl)F)cc(o2)c4ccc(cc4)OC
InChi [?]:
InChI=1/C23H17ClFNO2/c1-14-3-10-22-18(11-14)21(26-16-6-9-20(25)19(24)12-16)13-23(28-22)15-4-7-17(27-2)8-5-15/h3-13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,3,22,26,11,23,25,12,4,7,15,18,2,21,10,24,6,14,13,8,5,19,16,17,9,27,20/E:(4,5)(7,8)/rA:28nCCCCCCCCNCCCCCCClFCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s12;d13;d10s14;s14;s13;s8;d18;s5s19;s19;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17ClFNO2
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.7012
Area:597.529
Solvation:-4.23704
Coulombic:-26.1183
Bond Count [?]
All:31
Single:20
Double:11
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:393.838
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.42
LogP (Chemaxon):7.02

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Descriptor Annotations

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