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Chemical ID: 3967015
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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