Chemical ID: 7221454

CCn1cc(c(n1)C)C(=O)CC2(c3ccccc3NC2=O)O
Chemical ID:
7221454
Name [?]:
3-[2-(1-ethyl-3-methyl-pyrazol-4-yl)-2-oxo-ethyl]-3-hydroxy-indolin-2-one
SMILES [?]:
CCn1cc(c(n1)C)C(=O)CC2(c3ccccc3NC2=O)O
InChi [?]:
InChI=1/C16H17N3O3/c1-3-19-9-11(10(2)18-19)14(20)8-16(22)12-6-4-5-7-13(12)17-15(16)21/h4-7,9,22H,3,8H2,1-2H3,(H,17,21)
InChi Info:
AuxInfo=1/1/N:1,8,2,15,16,14,17,11,4,6,5,13,18,9,20,12,19,7,3,10,21,22/rA:22cCCNCCCNCCOCCCCCCCCNCOO/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s12s19;d20;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N3O3
All Atoms:39
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:7.29963
Area:484.794
Solvation:-4.82022
Coulombic:-48.4095
Bond Count [?]
All:24
Single:17
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:299.325
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.07
LogP (Chemaxon):0.63

Name Annotations

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Descriptor Annotations

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