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Chemical ID: 4594901
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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