Chemical ID: 4588936

CNc1ccc(cc1C(=O)c2cc(c(c(c2)OC)OC)OC)Cl
Chemical ID:
4588936
Name [?]:
(5-chloro-2-methylamino-phenyl)-(3,4,5-trimethoxyphenyl)-methanone
SMILES [?]:
CNc1ccc(cc1C(=O)c2cc(c(c(c2)OC)OC)OC)Cl
InChi [?]:
InChI=1/C17H18ClNO4/c1-19-13-6-5-11(18)9-12(13)16(20)10-7-14(21-2)17(23-4)15(8-10)22-3/h5-9,19H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,22,20,5,4,16,12,7,11,6,8,3,15,13,9,14,23,2,10,17,21,19/E:(2,3)(7,8)(14,15)(21,22)/rA:23nCNCCCCCCCOCCCCCCOCOCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s13;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18ClNO4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:6.82179
Area:524.471
Solvation:-6.29
Coulombic:-42.2177
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:335.782
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.62
LogP (Chemaxon):3.25

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