Chemical ID: 5517457

CCOc1ccc(cc1)C#N
Chemical ID:
5517457
Name [?]:
4-ethoxybenzonitrile
SMILES [?]:
CCOc1ccc(cc1)C#N
InChi [?]:
InChI=1/C9H9NO/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,8,5,9,10,7,4,11,3/E:(3,4)(5,6)/rA:11nCCOCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;t10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9NO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.97241
Area:326.265
Solvation:-2.18422
Coulombic:-11.4013
Bond Count [?]
All:11
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:147.174
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.08
LogP (Chemaxon):1.95

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Descriptor Annotations

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