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Chemical ID: 6502695
Chemical ID:
6502695
Name [?]:
phenothiazin-10-yl-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)N2c3ccccc3Sc4c2cccc4
InChi [?]:
InChI=1/C19H13NOS/c21-19(14-8-2-1-3-9-14)20-15-10-4-6-12-17(15)22-18-13-7-5-11-16(18)20/h1-13H
InChi Info:
AuxInfo=1/0/N:1,2,6,12,20,13,21,3,5,11,19,14,22,4,10,18,15,17,7,9,8,16/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)(17,18)/rA:22nCCCCCCCONCCCCCCSCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s16;s9s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H13NOS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.99776 |
Area: | 454.616 |
Solvation: | -1.36765 |
Coulombic: | -21.8896 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 303.379 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.87 |
LogP (Chemaxon): | 5.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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