Chemical ID: 5268812

c1cc(cc(c1)Cl)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccco5)Br
Chemical ID:
5268812
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccco5)Br
InChi [?]:
InChI=1/C22H13BrClNO4/c23-13-6-7-17-16(10-13)20(26)18-19(12-3-1-4-14(24)9-12)25(22(27)21(18)29-17)11-15-5-2-8-28-15/h1-10,19H,11H2
InChi Info:
AuxInfo=1/0/N:1,26,2,6,25,15,16,27,4,13,23,3,14,5,24,12,17,9,8,10,19,20,29,7,22,11,21,28,18/rA:29cCCCCCCClCCCOCCCCCCOCCONCCCCCOBr/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;d20;s8s20;s22;s23;d24;s25;d26;s24s27;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H13BrClNO4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.457
Area:608.671
Solvation:-4.75981
Coulombic:-41.8226
Bond Count [?]
All:33
Single:22
Double:11
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:470.7
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.25
LogP (Chemaxon):4.69

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Descriptor Annotations

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