Chemical ID: 4743997

COc1ccc(c(c1)C=C2c3ccccc3NC2=O)OC
Chemical ID:
4743997
Name [?]:
3-[(2,5-dimethoxyphenyl)methylene]indolin-2-one
SMILES [?]:
COc1ccc(c(c1)C=C2c3ccccc3NC2=O)OC
InChi [?]:
InChI=1/C17H15NO3/c1-20-12-7-8-16(21-2)11(9-12)10-14-13-5-3-4-6-15(13)18-17(14)19/h3-10H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,13,14,12,15,4,5,8,9,7,3,11,10,16,6,18,17,19,2,20/rA:21nCOCCCCCCCCCCCCCCNCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s13;d14;d11s15;s16;s10s17;d18;s6;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.10049
Area:455.158
Solvation:-4.27847
Coulombic:-36.7353
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:281.306
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.93
LogP (Chemaxon):2.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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