Chemical ID: 3967015

c1ccc2c(c1)C(=C3C(=NO)c4ccccc4N3)C(=O)N2
Chemical ID:
3967015
Name [?]:
3-(3-hydroxyiminoindolin-2-ylidene)indolin-2-one
SMILES [?]:
c1ccc2c(c1)C(=C3C(=NO)c4ccccc4N3)C(=O)N2
InChi [?]:
InChI=1/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,14,2,15,6,13,3,16,5,12,4,17,7,9,8,19,18,21,10,20,11/rA:21nCCCCCCCCCNOCCCCCCNCON/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;w9;s10;s9;s12;d13;s14;d15;d12s16;s8s17;s7;d19;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11N3O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.4235
Area:431.753
Solvation:-2.37033
Coulombic:-47.4575
Bond Count [?]
All:24
Single:15
Double:9
Rotors:0
Chiral:2
Rigid Segments:1
Chemical Properties
Molecular Weight:277.278
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.85
LogP (Chemaxon):1.33

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