Chemical ID: 4920160

CC1(c2ccccc2N(C1=O)Cc3ccccc3)O
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

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Descriptor Annotations

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