Chemical ID: 7161629

CCOc1ccc(cc1OC)C=C2C(=O)c3ccccc3N2
Chemical ID:
7161629
Name [?]:
2-[(4-ethoxy-3-methoxy-phenyl)methylene]indolin-3-one
SMILES [?]:
CCOc1ccc(cc1OC)C=C2C(=O)c3ccccc3N2
InChi [?]:
InChI=1/C18H17NO3/c1-3-22-16-9-8-12(11-17(16)21-2)10-15-18(20)13-6-4-5-7-14(13)19-15/h4-11,19H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,18,19,17,20,6,5,12,8,7,16,21,13,4,9,14,22,15,10,3/rA:22nCCOCCCCCCOCCCCOCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO3
All Atoms:39
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.50079
Area:502.949
Solvation:-5.07295
Coulombic:-36.1315
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:295.333
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.73
LogP (Chemaxon):3.65

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