Chemical ID: 7722063

COc1ccc(cc1F)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Br)CCCO)O
Chemical ID:
7722063
Name [?]:
None
SMILES [?]:
COc1ccc(cc1F)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Br)CCCO)O
InChi [?]:
InChI=1/C21H19BrFNO5/c1-29-16-7-6-13(11-15(16)23)19(26)17-18(12-4-2-5-14(22)10-12)24(8-3-9-25)21(28)20(17)27/h2,4-7,10-11,18,25,27H,3,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,26,19,21,5,4,25,27,23,7,18,6,22,8,3,12,17,10,13,14,24,9,16,28,11,29,15,2/rA:29cCOCCCCCCFCOCCCONCCCCCCCBrCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s16;s25;s26;s27;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19BrFNO5
All Atoms:48
Heavy Atoms:29
Chiral Atoms:None
ZAP Information [?]
Total:8.18103
Area:629.015
Solvation:-7.54434
Coulombic:-69.811
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.72
LogP (Chemaxon):None

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Descriptor Annotations

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