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Chemical ID: 5169746
Chemical ID:
5169746
Name [?]:
N-(m-tolyl)-4,5-dihydrooxazol-2-amine
SMILES [?]:
Cc1cccc(c1)NC2=NCCO2
InChi [?]:
InChI=1/C10H12N2O/c1-8-3-2-4-9(7-8)12-10-11-5-6-13-10/h2-4,7H,5-6H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,11,12,7,2,6,9,10,8,13/rA:13nCCCCCCCNCNCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.17192 |
Area: | 343.287 |
Solvation: | -2.41025 |
Coulombic: | -26.7902 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 176.215 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.14 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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