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Chemical ID: 6337950
Chemical ID:
6337950
Name [?]:
3-nitrido-N-[1-(p-tolyl)ethyl]propanamide
SMILES [?]:
Cc1ccc(cc1)C(C)NC(=O)CC#N
InChi [?]:
InChI=1/C12H14N2O/c1-9-3-5-11(6-4-9)10(2)14-12(15)7-8-13/h3-6,10H,7H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,9,3,7,4,6,13,14,2,8,5,11,15,10,12/E:(3,4)(5,6)/rA:15cCCCCCCCCCNCOCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s8;s10;d11;s11;s13;t14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.11646 |
Area: | 408.516 |
Solvation: | -3.09643 |
Coulombic: | -22.7764 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 202.252 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.27 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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