Chemical ID: 6502695

c1ccc(cc1)C(=O)N2c3ccccc3Sc4c2cccc4
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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