Chemical ID: 5872112

CCCOc1ccccc1C#N
Chemical ID:
5872112
Name [?]:
2-propoxybenzonitrile
SMILES [?]:
CCCOc1ccccc1C#N
InChi [?]:
InChI=1/C10H11NO/c1-2-7-12-10-6-4-3-5-9(10)8-11/h3-6H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,7,9,6,3,11,10,5,12,4/rA:12nCCCOCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;t11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.53517
Area:349.198
Solvation:-2.19479
Coulombic:-12.4137
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:2.44
LogP (Chemaxon):2.42

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Descriptor Annotations

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