Chemical ID: 4237224

C#CCN1c2ccccc2C(C1=O)(CC(=O)c3ccccn3)O
Chemical ID:
4237224
Name [?]:
3-hydroxy-3-[2-oxo-2-(2-pyridyl)ethyl]-1-prop-2-ynyl-indolin-2-one
SMILES [?]:
C#CCN1c2ccccc2C(C1=O)(CC(=O)c3ccccn3)O
InChi [?]:
InChI=1/C18H14N2O3/c1-2-11-20-15-9-4-3-7-13(15)18(23,17(20)22)12-16(21)14-8-5-6-10-19-14/h1,3-10,23H,11-12H2
InChi Info:
AuxInfo=1/0/N:1,2,8,7,19,20,9,18,6,21,3,14,10,17,5,15,12,11,22,4,16,13,23/rA:23cCCCNCCCCCCCCOCCOCCCCCNO/rB:t1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;d12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.54906
Area:499.431
Solvation:-3.93673
Coulombic:-50.4718
Bond Count [?]
All:25
Single:16
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:306.315
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.26
LogP (Chemaxon):0.98

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