Chemical ID: 5199459

CCOC(=O)c1c-2c3c(ccc(c3C(=O)c4c2cccc4)Br)n(c1=O)C
Chemical ID:
5199459
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c-2c3c(ccc(c3C(=O)c4c2cccc4)Br)n(c1=O)C
InChi [?]:
InChI=1/C20H14BrNO4/c1-3-26-20(25)17-14-10-6-4-5-7-11(10)18(23)15-12(21)8-9-13(16(14)15)22(2)19(17)24/h4-9H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,19,20,18,21,11,10,17,16,12,9,7,13,8,6,14,24,4,22,23,15,25,5,3/rA:26nCCOCOCCCCCCCCCOCCCCCCBrNCOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s7s16;d17;s18;d19;d16s20;s12;s9;s6s23;d24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14BrNO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.47779
Area:511.118
Solvation:-3.30017
Coulombic:-44.5013
Bond Count [?]
All:29
Single:19
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:412.233
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.85
LogP (Chemaxon):3.72

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Descriptor Annotations

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