Chemical ID: 4747377

c1ccc(cc1)Oc2ccc(cc2)c3cc([nH]n3)N4CCOCC4
Chemical ID:
4747377
Name [?]:
4-[5-(4-phenoxyphenyl)-2H-pyrazol-3-yl]morpholine
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)c3cc([nH]n3)N4CCOCC4
InChi [?]:
InChI=1/C19H19N3O2/c1-2-4-16(5-3-1)24-17-8-6-15(7-9-17)18-14-19(21-20-18)22-10-12-23-13-11-22/h1-9,14H,10-13H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,12,9,13,20,24,21,23,15,11,4,8,14,16,18,17,19,22,7/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24nCCCCCCOCCCCCCCCCNNNCCOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s16;d14s17;s16;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.83689
Area:527.432
Solvation:-4.3489
Coulombic:-33.6731
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:321.373
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.43
LogP (Chemaxon):3.75

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