Chemical ID: 4710059

Cc1ccc(cc1)n2c(cc3c2CCCC3=O)c4ccccc4
Chemical ID:
4710059
Name [?]:
2-phenyl-1-(p-tolyl)-6,7-dihydro-5H-indol-4-one
SMILES [?]:
Cc1ccc(cc1)n2c(cc3c2CCCC3=O)c4ccccc4
InChi [?]:
InChI=1/C21H19NO/c1-15-10-12-17(13-11-15)22-19-8-5-9-21(23)18(19)14-20(22)16-6-3-2-4-7-16/h2-4,6-7,10-14H,5,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,22,14,19,23,13,15,3,7,4,6,10,2,18,5,11,12,9,16,8,17/E:(3,4)(6,7)(10,11)(12,13)/rA:23nCCCCCCCNCCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s12;s13;s14;s11s15;d16;s9;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19NO
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.0192
Area:489.179
Solvation:-2.21028
Coulombic:-15.7522
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:301.382
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.88
LogP (Chemaxon):4.14

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Descriptor Annotations

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