Chemical ID: 4117478

COc1ccc(cc1)CCC#N
Chemical ID:
4117478
Name [?]:
3-(4-methoxyphenyl)propanenitrile
SMILES [?]:
COc1ccc(cc1)CCC#N
InChi [?]:
InChI=1/C10H11NO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,5,7,4,8,11,6,3,12,2/E:(4,5)(6,7)/rA:12nCOCCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;t11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.03912
Area:351.451
Solvation:-2.74716
Coulombic:-10.204
Bond Count [?]
All:12
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:161.2
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.64
LogP (Chemaxon):2.16

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Descriptor Annotations

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