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Chemical ID: 5783675
Chemical ID:
5783675
Name [?]:
1-amino-2-(1H-indol-3-yl)ethanone oxime
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CC(=NO)N
InChi [?]:
InChI=1/C10H11N3O/c11-10(13-14)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12,14H,5H2,(H2,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,8,7,5,4,11,14,9,12,13/rA:14nCCCCCCCCNCCNON/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;w11;s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11N3O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.62272 |
Area: | 354.744 |
Solvation: | -2.24587 |
Coulombic: | -40.6235 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 189.214 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.35 |
LogP (Chemaxon): | 1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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