Chemical ID: 4493163

c1cc(cc(c1)Cl)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccc(cc5)F)Br
Chemical ID:
4493163
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccc(cc5)F)Br
InChi [?]:
InChI=1/C24H14BrClFNO3/c25-15-6-9-19-18(11-15)22(29)20-21(14-2-1-3-16(26)10-14)28(24(30)23(20)31-19)12-13-4-7-17(27)8-5-13/h1-11,21H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,25,29,15,26,28,16,4,13,23,24,3,14,5,27,12,17,9,8,10,19,20,31,7,30,22,11,21,18/E:(4,5)(7,8)/rA:31cCCCCCCClCCCOCCCCCCOCCONCCCCCCCFBr/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;d20;s8s20;s22;s23;s24;d25;s26;d27;d24s28;s27;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H14BrClFNO3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.7263
Area:632.493
Solvation:-4.08599
Coulombic:-40.7149
Bond Count [?]
All:35
Single:23
Double:12
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:498.728
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.71
LogP (Chemaxon):5.88

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Descriptor Annotations

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