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Chemical ID: 3994952
Chemical ID:
3994952
Name [?]:
3-amino-3-hydroxyimino-N-(o-tolyl)propanamide
SMILES [?]:
Cc1ccccc1NC(=O)CC(=NO)N
InChi [?]:
InChI=1/C10H13N3O2/c1-7-4-2-3-5-8(7)12-10(14)6-9(11)13-15/h2-5,15H,6H2,1H3,(H2,11,13)(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,11,2,7,12,9,15,8,13,10,14/rA:15nCCCCCCCNCOCCNON/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;w12;s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N3O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.63045 |
Area: | 390.247 |
Solvation: | -3.12571 |
Coulombic: | -48.7581 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 207.229 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 0.54 |
LogP (Chemaxon): | 0.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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