Chemical ID: 4772757

C=CCCOc1ccccc1C(=O)N
Chemical ID:
4772757
Name [?]:
2-but-3-enoxybenzamide
SMILES [?]:
C=CCCOc1ccccc1C(=O)N
InChi [?]:
InChI=1/C11H13NO2/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h2,4-7H,1,3,8H2,(H2,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,8,10,7,4,11,6,12,14,13,5/rA:14nCCCCOCCCCCCCON/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.02203
Area:376.973
Solvation:-3.4023
Coulombic:-34.8902
Bond Count [?]
All:14
Single:9
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:191.226
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.81
LogP (Chemaxon):1.44

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Descriptor Annotations

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