Chemical ID: 5573863

CC(C)CCN1c2ccccc2Sc3c1cccc3
Chemical ID:
5573863
Name [?]:
10-isopentylphenothiazine
SMILES [?]:
CC(C)CCN1c2ccccc2Sc3c1cccc3
InChi [?]:
InChI=1/C17H19NS/c1-13(2)11-12-18-14-7-3-5-9-16(14)19-17-10-6-4-8-15(17)18/h3-10,13H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,17,10,18,8,16,11,19,4,5,2,7,15,12,14,6,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(14,15)(16,17)/rA:19nCCCCCNCCCCCCSCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s6s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.1043
Area:448.649
Solvation:-1.1119
Coulombic:-10.4099
Bond Count [?]
All:21
Single:15
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:269.405
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.95
LogP (Chemaxon):5.54

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue