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Chemical ID: 5152997
Chemical ID:
5152997
Name [?]:
10H-phenothiazine-1-carboxamide
SMILES [?]:
c1ccc2c(c1)Nc3c(cccc3S2)C(=O)N
InChi [?]:
InChI=1/C13H10N2OS/c14-13(16)8-4-3-7-11-12(8)15-9-5-1-2-6-10(9)17-11/h1-7,15H,(H2,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,6,3,12,9,5,4,13,8,15,17,7,16,14/rA:17nCCCCCCNCCCCCCSCON/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;s9;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10N2OS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.85809 |
Area: | 390.781 |
Solvation: | -1.91145 |
Coulombic: | -39.4053 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 242.297 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.67 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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