Chemical ID: 5288198

c1cc(cc(c1)Br)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccco5)Cl
Chemical ID:
5288198
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Br)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccco5)Cl
InChi [?]:
InChI=1/C22H13BrClNO4/c23-13-4-1-3-12(9-13)19-18-20(26)16-10-14(24)6-7-17(16)29-21(18)22(27)25(19)11-15-5-2-8-28-15/h1-10,19H,11H2
InChi Info:
AuxInfo=1/0/N:1,26,2,6,25,15,16,27,4,13,23,3,5,14,24,12,17,9,8,10,19,20,7,29,22,11,21,28,18/rA:29cCCCCCCBrCCCOCCCCCCOCCONCCCCCOCl/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:10.4595
Area:608.978
Solvation:-4.76493
Coulombic:-41.723
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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