Chemical ID: 6608775

CN1c2ccccc2C(C1=O)(c3nnc(o3)c4ccccc4)O
Chemical ID:
6608775
Name [?]:
3-hydroxy-1-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-indolin-2-one
SMILES [?]:
CN1c2ccccc2C(C1=O)(c3nnc(o3)c4ccccc4)O
InChi [?]:
InChI=1/C17H13N3O3/c1-20-13-10-6-5-9-12(13)17(22,16(20)21)15-19-18-14(23-15)11-7-3-2-4-8-11/h2-10,22H,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,6,5,18,22,7,4,17,8,3,15,12,10,9,14,13,2,11,23,16/E:(3,4)(7,8)/rA:23cCNCCCCCCCCOCNNCOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s9;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13N3O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.016
Area:493.881
Solvation:-2.33102
Coulombic:-52.4919
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:307.304
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.21
LogP (Chemaxon):1.54

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Descriptor Annotations

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