Chemical ID: 5117820

c1ccc(cc1)C(=O)c2ccccc2N3CCOCC3
Chemical ID:
5117820
Name [?]:
(2-morpholinophenyl)-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)c2ccccc2N3CCOCC3
InChi [?]:
InChI=1/C17H17NO2/c19-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)18-10-12-20-13-11-18/h1-9H,10-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,3,5,10,13,16,20,17,19,4,9,14,7,15,8,18/E:(2,3)(6,7)(10,11)(12,13)/rA:20nCCCCCCCOCCCCCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.74505
Area:444.779
Solvation:-3.37443
Coulombic:-26.1356
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.322
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.38
LogP (Chemaxon):3.19

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