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Chemical ID: 5333949
Chemical ID:
5333949
Name [?]:
amino-(1H-indol-3-yl)methanone oxime
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)C(=NO)N
InChi [?]:
InChI=1/C9H9N3O/c10-9(12-13)7-5-11-8-4-2-1-3-6(7)8/h1-5,11,13H,(H2,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,5,7,4,10,13,9,11,12/rA:13nCCCCCCCCNCNON/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;w10;s11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H9N3O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.40052 |
Area: | 335.278 |
Solvation: | -1.98142 |
Coulombic: | -41.7152 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 175.187 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.54 |
LogP (Chemaxon): | 1.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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