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Chemical ID: 6049124
Chemical ID:
6049124
Name [?]:
1-amino-2-(p-tolyl)ethanone oxime
SMILES [?]:
Cc1ccc(cc1)CC(=NO)N
InChi [?]:
InChI=1/C9H12N2O/c1-7-2-4-8(5-3-7)6-9(10)11-12/h2-5,12H,6H2,1H3,(H2,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,8,2,5,9,12,10,11/E:(2,3)(4,5)/rA:12nCCCCCCCCCNON/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;w9;s10;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.59435 |
Area: | 337.8 |
Solvation: | -1.85065 |
Coulombic: | -30.5535 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 164.204 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.72 |
LogP (Chemaxon): | 1.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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