Chemical ID: 6733612

Cc1ccc(c(c1)C)N=C2CC(=O)C(=O)c3c2cccc3
Chemical ID:
6733612
Name [?]:
4-(2,4-dimethylphenyl)iminotetralin-1,2-dione
SMILES [?]:
Cc1ccc(c(c1)C)N=C2CC(=O)C(=O)c3c2cccc3
InChi [?]:
InChI=1/C18H15NO2/c1-11-7-8-15(12(2)9-11)19-16-10-17(20)18(21)14-6-4-3-5-13(14)16/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,19,20,18,21,3,4,7,11,2,6,17,16,5,10,12,14,9,13,15/rA:21nCCCCCCCCNCCCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;w9;s10;s11;d12;s12;d14;s14;s10s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO2
All Atoms:36
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.7186
Area:469.067
Solvation:-3.00808
Coulombic:-22.9162
Bond Count [?]
All:23
Single:14
Double:9
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:277.317
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.92
LogP (Chemaxon):4.96

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