Chemical ID: 4898652

c1cc(oc1)CN2C(c3c(=O)c4cc(ccc4oc3C2=O)F)c5ccc(c(c5)Cl)Cl
Chemical ID:
4898652
Name [?]:
None
SMILES [?]:
c1cc(oc1)CN2C(c3c(=O)c4cc(ccc4oc3C2=O)F)c5ccc(c(c5)Cl)Cl
InChi [?]:
InChI=1/C22H12Cl2FNO4/c23-15-5-3-11(8-16(15)24)19-18-20(27)14-9-12(25)4-6-17(14)30-21(18)22(28)26(19)10-13-2-1-7-29-13/h1-9,19H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,24,15,25,16,5,28,13,6,23,14,3,12,26,27,17,9,8,10,19,20,30,29,22,7,11,21,4,18/rA:30cCCCOCCNCCCOCCCCCCOCCOFCCCCCCClCl/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s14;s8;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H12Cl2FNO4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:8.70855
Area:577.856
Solvation:-5.73784
Coulombic:-44.4966
Bond Count [?]
All:34
Single:23
Double:11
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:444.239
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.23
LogP (Chemaxon):4.56

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Descriptor Annotations

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