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Chemical ID: 6420441
Chemical ID:
6420441
Name [?]:
8-chloro-10-(3-dimethylaminopropyl)phenothiazin-3-ol
SMILES [?]:
CN(C)CCCN1c2ccc(cc2Sc3c1cc(cc3)Cl)O
InChi [?]:
InChI=1/C17H19ClN2OS/c1-19(2)8-3-9-20-14-6-5-13(21)11-17(14)22-16-7-4-12(18)10-15(16)20/h4-7,10-11,21H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,19,10,9,20,4,6,17,12,18,11,8,16,15,13,21,2,7,22,14/E:(1,2)/rA:22nCNCCCCNCCCCCCSCCCCCCClO/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s7s15;d16;s17;d18;d15s19;s18;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19ClN2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5456 |
Area: | 524.758 |
Solvation: | -2.57334 |
Coulombic: | -28.882 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 334.864 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.52 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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