Chemical ID: 4594901

CN1c2ccccc2Sc3c1ccc(c3)C=O
Chemical ID:
4594901
Name [?]:
10-methylphenothiazine-3-carbaldehyde
SMILES [?]:
CN1c2ccccc2Sc3c1ccc(c3)C=O
InChi [?]:
InChI=1/C14H11NOS/c1-15-11-4-2-3-5-13(11)17-14-8-10(9-16)6-7-12(14)15/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,7,13,12,15,16,14,3,11,8,10,2,17,9/rA:17nCNCCCCCCSCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;d11;s12;d13;d10s14;s14;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11NOS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.4486
Area:401.589
Solvation:-2.59114
Coulombic:-15.0744
Bond Count [?]
All:19
Single:12
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:241.309
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.79
LogP (Chemaxon):3.68

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Descriptor Annotations

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