Chemical ID: 6337950

Cc1ccc(cc1)C(C)NC(=O)CC#N
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

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