Chemical ID: 4581165

c1ccc(cc1)c2cc(=O)oc3c2ccc4c3CN(CO4)CCc5ccc(cc5Cl)Cl
Chemical ID:
4581165
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2cc(=O)oc3c2ccc4c3CN(CO4)CCc5ccc(cc5Cl)Cl
InChi [?]:
InChI=1/C25H19Cl2NO3/c26-18-7-6-17(22(27)12-18)10-11-28-14-21-23(30-15-28)9-8-19-20(13-24(29)31-25(19)21)16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,25,26,14,15,23,22,28,8,18,20,4,24,27,13,7,17,29,16,9,12,31,30,19,10,21,11/E:(2,3)(4,5)/rA:31cCCCCCCCCCOOCCCCCCCNCOCCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;s11;s7s12;d13;s14;d15;d12s16;s17;s18;s19;s16s20;s19;s22;s23;s24;d25;s26;d27;d24s28;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H19Cl2NO3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.8131
Area:659.936
Solvation:-3.68525
Coulombic:-34.8449
Bond Count [?]
All:35
Single:24
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:452.329
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.34
LogP (Chemaxon):6.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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