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Chemical ID: 4598818
Chemical ID:
4598818
Name [?]:
1-amino-3-(1-piperidyl)propan-1-one oxime
SMILES [?]:
C1CCN(CC1)CCC(=NO)N
InChi [?]:
InChI=1/C8H17N3O/c9-8(10-12)4-7-11-5-2-1-3-6-11/h12H,1-7H2,(H2,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,3,5,7,9,12,10,4,11/E:(2,3)(5,6)/rA:12nCCCNCCCCCNON/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;w9;s10;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H17N3O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.80718 |
Area: | 352.081 |
Solvation: | -1.99486 |
Coulombic: | -33.9824 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 171.24 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.3 |
LogP (Chemaxon): | -0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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