Chemical ID: 6358428

CCc1cccc(c1NC(=O)CC#N)C
Chemical ID:
6358428
Name [?]:
N-(2-ethyl-6-methyl-phenyl)-3-nitrido-propanamide
SMILES [?]:
CCc1cccc(c1NC(=O)CC#N)C
InChi [?]:
InChI=1/C12H14N2O/c1-3-10-6-4-5-9(2)12(10)14-11(15)7-8-13/h4-6H,3,7H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,2,5,6,4,12,13,7,3,10,8,14,9,11/rA:15nCCCCCCCCNCOCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;t13;s7;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.47218
Area:388.845
Solvation:-3.24894
Coulombic:-21.4251
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:2.51
LogP (Chemaxon):1.6

Name Annotations

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Descriptor Annotations

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