Chemical ID: 6362136

Cc1cccc(c1NC(=O)CC#N)C(C)C
Chemical ID:
6362136
Name [?]:
N-(2-isopropyl-6-methyl-phenyl)-3-nitrido-propanamide
SMILES [?]:
Cc1cccc(c1NC(=O)CC#N)C(C)C
InChi [?]:
InChI=1/C13H16N2O/c1-9(2)11-6-4-5-10(3)13(11)15-12(16)7-8-14/h4-6,9H,7H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:15,16,1,4,3,5,11,12,14,2,6,9,7,13,8,10/E:(1,2)/rA:16nCCCCCCCNCOCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;t12;s6;s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.98838
Area:412.251
Solvation:-3.3179
Coulombic:-21.7408
Bond Count [?]
All:16
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:216.279
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.02
LogP (Chemaxon):1.93

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Descriptor Annotations

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