Chemical ID: 4599380

c1ccc2c(c1)N(c3ccccc3S2)C(=O)c4cccc(c4)Br
Chemical ID:
4599380
Name [?]:
(3-bromophenyl)-phenothiazin-10-yl-methanone
SMILES [?]:
c1ccc2c(c1)N(c3ccccc3S2)C(=O)c4cccc(c4)Br
InChi [?]:
InChI=1/C19H12BrNOS/c20-14-7-5-6-13(12-14)19(22)21-15-8-1-3-10-17(15)23-18-11-4-2-9-16(18)21/h1-12H
InChi Info:
AuxInfo=1/0/N:1,10,2,11,19,18,20,6,9,3,12,22,17,21,5,8,4,13,15,23,7,16,14/E:(1,2)(3,4)(8,9)(10,11)(15,16)(17,18)/rA:23nCCCCCCNCCCCCCSCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;s7;d15;s15;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12BrNOS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.7897
Area:485.783
Solvation:-1.35482
Coulombic:-21.4771
Bond Count [?]
All:26
Single:16
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:382.275
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.67
LogP (Chemaxon):5.81

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