Chemical ID: 5287133

c1cc(oc1)CN2C(c3c(=O)c4cc(ccc4oc3C2=O)Br)c5ccc(cc5)F
Chemical ID:
5287133
Name [?]:
None
SMILES [?]:
c1cc(oc1)CN2C(c3c(=O)c4cc(ccc4oc3C2=O)Br)c5ccc(cc5)F
InChi [?]:
InChI=1/C22H13BrFNO4/c23-13-5-8-17-16(10-13)20(26)18-19(12-3-6-14(24)7-4-12)25(22(27)21(18)29-17)11-15-2-1-9-28-15/h1-10,19H,11H2
InChi Info:
AuxInfo=1/0/N:1,2,24,28,15,25,27,16,5,13,6,23,14,26,3,12,17,9,8,10,19,20,22,29,7,11,21,4,18/E:(3,4)(6,7)/rA:29cCCCOCCNCCCOCCCCCCOCCOBrCCCCCCF/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;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H13BrFNO4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.17672
Area:547.793
Solvation:-5.51811
Coulombic:-44.8241
Bond Count [?]
All:33
Single:22
Double:11
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:454.245
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.79
LogP (Chemaxon):4.31

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Descriptor Annotations

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