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Chemical ID: 6350818
Chemical ID:
6350818
Name [?]:
N-pyrimidin-2-ylpropanamide
SMILES [?]:
CCC(=O)Nc1ncccn1
InChi [?]:
InChI=1/C7H9N3O/c1-2-6(11)10-7-8-4-3-5-9-7/h3-5H,2H2,1H3,(H,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,9,8,10,3,6,7,11,5,4/E:(4,5)(8,9)/rA:11nCCCONCNCCCN/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H9N3O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.88163 |
Area: | 312.582 |
Solvation: | -2.93292 |
Coulombic: | -29.0765 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 151.166 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | -0.04 |
LogP (Chemaxon): | 0.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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