Chemical ID: 3994186

CCOc1ccc(cc1)NCCC#N
Chemical ID:
3994186
Name [?]:
3-(4-ethoxyphenyl)aminopropanenitrile
SMILES [?]:
CCOc1ccc(cc1)NCCC#N
InChi [?]:
InChI=1/C11H14N2O/c1-2-14-11-6-4-10(5-7-11)13-9-3-8-12/h4-7,13H,2-3,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,6,8,5,9,13,11,7,4,14,10,3/E:(4,5)(6,7)/rA:14nCCOCCCCCCNCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;t13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14N2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.10193
Area:400.757
Solvation:-2.91699
Coulombic:-21.3204
Bond Count [?]
All:14
Single:10
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:190.242
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.09
LogP (Chemaxon):1.77

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