Chemical ID: 4693419

CC(C)(CO)N1Cc2ccccc2C1=O
Chemical ID:
4693419
Name [?]:
2-(2-hydroxy-1,1-dimethyl-ethyl)isoindolin-1-one
SMILES [?]:
CC(C)(CO)N1Cc2ccccc2C1=O
InChi [?]:
InChI=1/C12H15NO2/c1-12(2,8-14)13-7-9-5-3-4-6-10(9)11(13)15/h3-6,14H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,11,9,12,7,4,8,13,14,2,6,5,15/E:(1,2)/rA:15nCCCCONCCCCCCCCO/rB:s1;s2;s2;s4;s2;s6;s7;s8;d9;s10;d11;d8s12;s6s13;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.21379
Area:369.929
Solvation:-2.03443
Coulombic:-36.1183
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:205.253
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.43
LogP (Chemaxon):0.97

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