Chemical ID: 5626103

Cc1ccc(c(c1)C=C2c3ccccc3N(C2=O)C)C
Chemical ID:
5626103
Name [?]:
3-[(2,5-dimethylphenyl)methylene]-1-methyl-indolin-2-one
SMILES [?]:
Cc1ccc(c(c1)C=C2c3ccccc3N(C2=O)C)C
InChi [?]:
InChI=1/C18H17NO/c1-12-8-9-13(2)14(10-12)11-16-15-6-4-5-7-17(15)19(3)18(16)20/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,19,12,13,11,14,3,4,7,8,2,5,6,10,9,15,17,16,18/rA:20nCCCCCCCCCCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s12;d13;d10s14;s15;s9s16;d17;s16;s5;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.48106
Area:445.046
Solvation:-1.6451
Coulombic:-19.6162
Bond Count [?]
All:22
Single:14
Double:8
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:263.334
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.12
LogP (Chemaxon):3.85

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