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Chemical ID: 5211652
Chemical ID:
5211652
Name [?]:
2-but-2-enyl-2-methyl-3-phenyl-azirine
SMILES [?]:
CC=CCC1(C(=N1)c2ccccc2)C
InChi [?]:
InChI=1/C13H15N/c1-3-4-10-13(2)12(14-13)11-8-6-5-7-9-11/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,3,11,10,12,9,13,4,8,6,5,7/E:(6,7)(8,9)/rA:14cCCCCCCNCCCCCCC/rB:s1;w2;s3;s4;s5;s5d6;s6;s8;d9;s10;d11;d8s12;s5;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.39626 |
Area: | 389.716 |
Solvation: | -1.34664 |
Coulombic: | -9.41943 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 185.265 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.42 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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