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Chemical ID: 6470635
Chemical ID:
6470635
Name [?]:
3-allyl-3-methyl-1-phenyl-indolin-2-one
SMILES [?]:
CC1(c2ccccc2N(C1=O)c3ccccc3)CC=C
InChi [?]:
InChI=1/C18H17NO/c1-3-13-18(2)15-11-7-8-12-16(15)19(17(18)20)14-9-5-4-6-10-14/h3-12H,1,13H2,2H3
InChi Info:
AuxInfo=1/0/N:20,1,19,15,14,16,5,6,13,17,4,7,18,12,3,8,10,2,9,11/E:(5,6)(9,10)/rA:20cCCCCCCCCNCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s9;s12;d13;s14;d15;d12s16;s2;s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.25487 |
Area: | 447.87 |
Solvation: | -1.94187 |
Coulombic: | -20.1438 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 263.334 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.19 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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