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Chemical ID: 6358428
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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Experimental Annotations
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Descriptor Annotations
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