Chemical ID: 4902505

c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)Br)Cc5ccco5
Chemical ID:
4902505
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)Br)Cc5ccco5
InChi [?]:
InChI=1/C22H14BrNO4/c23-14-6-3-5-13(11-14)19-18-20(25)16-8-1-2-9-17(16)28-21(18)22(26)24(19)12-15-7-4-10-27-15/h1-11,19H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,18,26,17,19,25,6,3,27,21,23,16,20,24,5,4,9,15,7,10,12,22,14,8,13,28,11/rA:28cCCCCCCCOCCOCONCCCCCCCBrCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s20;s14;s23;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H14BrNO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.74653
Area:575.647
Solvation:-4.64465
Coulombic:-42.2088
Bond Count [?]
All:32
Single:21
Double:11
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:436.255
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.62
LogP (Chemaxon):4.17

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