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Chemical ID: 4278212
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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