Chemical ID: 4959083

c1ccc(cc1)C2CC(C(=O)O2)N
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

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Descriptor Annotations

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