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Chemical ID: 5174659
Chemical ID:
5174659
Name [?]:
4,5-dimethyl-2-phenyl-3,6-dihydrothiazine
SMILES [?]:
CC1=C(CSN(C1)c2ccccc2)C
InChi [?]:
InChI=1/C12H15NS/c1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,11,10,12,9,13,7,4,2,3,8,6,5/E:(4,5)(6,7)/rA:14cCCCCSNCCCCCCCC/rB:s1;d2;s3;s4;s5;s2s6;s6;s8;d9;s10;d11;d8s12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15NS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.03166 |
Area: | 371.389 |
Solvation: | -1.25305 |
Coulombic: | -6.23945 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 205.32 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.87 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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