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Chemical ID: 4881401
Chemical ID:
4881401
Name [?]:
N'-cyclopropyl-N-(4-pyridylmethyl)oxamide
SMILES [?]:
c1cnccc1CNC(=O)C(=O)NC2CC2
InChi [?]:
InChI=1/C11H13N3O2/c15-10(11(16)14-9-1-2-9)13-7-8-3-5-12-6-4-8/h3-6,9H,1-2,7H2,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:15,16,1,5,2,4,7,6,14,9,11,3,8,13,10,12/E:(1,2)(3,4)(5,6)/rA:16nCCNCCCCNCOCONCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;d11;s11;s13;s14;s14s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13N3O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.2391 |
Area: | 426.33 |
Solvation: | -2.41915 |
Coulombic: | -50.89 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 219.24 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -0.11 |
LogP (Chemaxon): | -0.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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