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Chemical ID: 4959083
Chemical ID:
4959083
Name [?]:
3-amino-5-phenyl-tetrahydrofuran-2-one
SMILES [?]:
c1ccc(cc1)C2CC(C(=O)O2)N
InChi [?]:
InChI=1/C10H11NO2/c11-8-6-9(13-10(8)12)7-4-2-1-3-5-7/h1-5,8-9H,6,11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,4,9,7,10,13,11,12/E:(2,3)(4,5)/rA:13cCCCCCCCCCCOON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s7s10;s9;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.72639 |
Area: | 342.085 |
Solvation: | -2.82573 |
Coulombic: | -31.8012 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 177.2 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.63 |
LogP (Chemaxon): | 0.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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