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Chemical ID: 4710059
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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