Chemical ID: 4297227

Cc1cc(ccc1Cl)C2C3C(C(=O)N(C3=O)c4ccc(cc4)Br)C5(O2)C(=O)c6ccccc6C5=O
Chemical ID:
4297227
Name [?]:
None
SMILES [?]:
Cc1cc(ccc1Cl)C2C3C(C(=O)N(C3=O)c4ccc(cc4)Br)C5(O2)C(=O)c6ccccc6C5=O
InChi [?]:
InChI=1/C27H17BrClNO5/c1-13-12-14(6-11-19(13)29)22-20-21(26(34)30(25(20)33)16-9-7-15(28)8-10-16)27(35-22)23(31)17-4-2-3-5-18(17)24(27)32/h2-12,20-22H,1H3
InChi Info:
AuxInfo=1/0/N:1,30,31,29,32,5,19,21,18,22,6,3,2,4,20,17,28,33,7,10,11,9,26,34,15,12,24,23,8,14,27,35,16,13,25/E:(2,3)(4,5)(7,8)(9,10)(17,18)(23,24)(31,32)/rA:35cCCCCCCCClCCCCONCOCCCCCCBrCOCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;s11;d12;s12;s10s14;d15;s14;s17;d18;s19;d20;d17s21;s20;s11;s9s24;s24;d26;s26;s28;d29;s30;d31;d28s32;s24s33;d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H17BrClNO5
All Atoms:35
Heavy Atoms:35
Chiral Atoms:3
ZAP Information [?]
Total:12.9731
Area:685.204
Solvation:-4.15705
Coulombic:-50.5256
Bond Count [?]
All:40
Single:27
Double:13
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:550.784
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.12
LogP (Chemaxon):4.53

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