Chemical ID: 4793095

Cc1cc2c(cc1Cl)c(cc(=O)o2)CN3CCN(CC3)c4ccc(cc4)F
Chemical ID:
4793095
Name [?]:
6-chloro-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-chromen-2-one
SMILES [?]:
Cc1cc2c(cc1Cl)c(cc(=O)o2)CN3CCN(CC3)c4ccc(cc4)F
InChi [?]:
InChI=1/C21H20ClFN2O2/c1-14-10-20-18(12-19(14)22)15(11-21(26)27-20)13-24-6-8-25(9-7-24)17-4-2-16(23)3-5-17/h2-5,10-12H,6-9,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,25,22,26,16,20,17,19,3,10,6,14,2,9,24,21,5,7,4,11,8,27,15,18,12,13/E:(2,3)(4,5)(6,7)(8,9)/rA:27nCCCCCCCClCCCOOCNCCNCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;d11;s4s11;s9;s14;s15;s16;s17;s18;s15s19;s18;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20ClFN2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.267
Area:573.87
Solvation:-4.07972
Coulombic:-34.2248
Bond Count [?]
All:30
Single:22
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:386.847
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.26
LogP (Chemaxon):5.08

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Descriptor Annotations

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