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Chemical ID: 4237224
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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