Chemical ID: 4268897

c1ccc(cc1)N2CCC(=O)N2
Chemical ID:
4268897
Name [?]:
1-phenylpyrazolidin-3-one
SMILES [?]:
c1ccc(cc1)N2CCC(=O)N2
InChi [?]:
InChI=1/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,8,4,10,12,7,11/E:(2,3)(4,5)/rA:12cCCCCCCNCCCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s7s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N2O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:5.73426
Area:324.279
Solvation:-2.37272
Coulombic:-20.7657
Bond Count [?]
All:13
Single:9
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:162.189
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.68
LogP (Chemaxon):0.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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