Chemical ID: 4278212

c1cc2c(cc1C=Cc3ccncc3)OCO2
Chemical ID:
4278212
Name [?]:
4-(2-benzo[1,3]dioxol-5-ylvinyl)pyridine
SMILES [?]:
c1cc2c(cc1C=Cc3ccncc3)OCO2
InChi [?]:
InChI=1/C14H11NO2/c1(11-5-7-15-8-6-11)2-12-3-4-13-14(9-12)17-10-16-13/h1-9H,10H2
InChi Info:
AuxInfo=1/0/N:8,7,1,2,10,14,11,13,5,16,9,6,3,4,12,17,15/E:(5,6)(7,8)/rA:17nCCCCCCCCCCCNCCOCO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s11;d12;d9s13;s4;s15;s3s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.56464
Area:383.803
Solvation:-3.03043
Coulombic:-22.3618
Bond Count [?]
All:19
Single:12
Double:7
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:225.243
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.16
LogP (Chemaxon):2.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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