Chemical ID: 6157311

Cc1ccc(cc1)CC(=O)N(CC#N)CC#N
Chemical ID:
6157311
Name [?]:
N,N-bis(cyanomethyl)-2-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)CC(=O)N(CC#N)CC#N
InChi [?]:
InChI=1/C13H13N3O/c1-11-2-4-12(5-3-11)10-13(17)16(8-6-14)9-7-15/h2-5H,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,13,16,12,15,8,2,5,9,14,17,11,10/E:(2,3)(4,5)(6,7)(8,9)(14,15)/rA:17nCCCCCCCCCONCCNCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;t13;s11;s15;t16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13N3O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.21616
Area:445.565
Solvation:-3.92295
Coulombic:-20.9269
Bond Count [?]
All:17
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:227.262
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.8
LogP (Chemaxon):1.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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