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Chemical ID: 5573863
Chemical ID:
5573863
Name [?]:
10-isopentylphenothiazine
SMILES [?]:
CC(C)CCN1c2ccccc2Sc3c1cccc3
InChi [?]:
InChI=1/C17H19NS/c1-13(2)11-12-18-14-7-3-5-9-16(14)19-17-10-6-4-8-15(17)18/h3-10,13H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,17,10,18,8,16,11,19,4,5,2,7,15,12,14,6,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(14,15)(16,17)/rA:19nCCCCCNCCCCCCSCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s6s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1043 |
Area: | 448.649 |
Solvation: | -1.1119 |
Coulombic: | -10.4099 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 269.405 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.95 |
LogP (Chemaxon): | 5.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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