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Chemical ID: 4704567
Chemical ID:
4704567
Name [?]:
1-methyl-3-(p-tolylimino)indolin-2-one
SMILES [?]:
Cc1ccc(cc1)N=C2c3ccccc3N(C2=O)C
InChi [?]:
InChI=1/C16H14N2O/c1-11-7-9-12(10-8-11)17-15-13-5-3-4-6-14(13)18(2)16(15)19/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,12,13,11,14,3,7,4,6,2,5,10,15,9,17,8,16,18/E:(7,8)(9,10)/rA:19nCCCCCCCNCCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s12;d13;d10s14;s15;s9s16;d17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.65515 |
Area: | 427.24 |
Solvation: | -2.02585 |
Coulombic: | -25.2032 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 250.295 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.82 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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