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Chemical ID: 4268897
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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