Chemical ID: 6420441

CN(C)CCCN1c2ccc(cc2Sc3c1cc(cc3)Cl)O
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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