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Chemical ID: 4920160
Chemical ID:
4920160
Name [?]:
1-benzyl-3-hydroxy-3-methyl-indolin-2-one
SMILES [?]:
CC1(c2ccccc2N(C1=O)Cc3ccccc3)O
InChi [?]:
InChI=1/C16H15NO2/c1-16(19)13-9-5-6-10-14(13)17(15(16)18)11-12-7-3-2-4-8-12/h2-10,19H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,5,6,14,18,4,7,12,13,3,8,10,2,9,11,19/E:(3,4)(7,8)/rA:19cCCCCCCCCNCOCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s9;s12;s13;d14;s15;d16;d13s17;s2;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.12428 |
Area: | 426.687 |
Solvation: | -2.5429 |
Coulombic: | -37.3259 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 253.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.59 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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