Chemical ID: 7390129

Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)O)Cc5ccccc5
Chemical ID:
7390129
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)O)Cc5ccccc5
InChi [?]:
InChI=1/C26H20ClNO5/c1-14-10-20-17(12-18(14)27)24(30)22-23(16-8-9-19(29)21(11-16)32-2)28(26(31)25(22)33-20)13-15-6-4-3-5-7-15/h3-12,23,29H,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,31,30,32,29,33,19,20,3,23,6,27,2,28,18,5,7,21,4,22,11,17,9,12,14,8,16,26,10,15,24,13/E:(4,5)(6,7)/rA:33cCCCCCCCClCOCCOCONCCCCCCCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s16;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H20ClNO5
All Atoms:53
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:10.7007
Area:663.609
Solvation:-5.88948
Coulombic:-59.212
Bond Count [?]
All:37
Single:25
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:461.893
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.49
LogP (Chemaxon):4.88

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue