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Chemical ID: 4225449
Chemical ID:
4225449
Name [?]:
10-methylphenothiazin-3-amine
SMILES [?]:
CN1c2ccccc2Sc3c1ccc(c3)N
InChi [?]:
InChI=1/C13H12N2S/c1-15-10-4-2-3-5-12(10)16-13-8-9(14)6-7-11(13)15/h2-8H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,7,13,12,15,14,3,11,8,10,16,2,9/rA:16nCNCCCCCCSCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12N2S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.13698 |
Area: | 382.424 |
Solvation: | -1.42363 |
Coulombic: | -24.5156 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 228.314 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.27 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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