Chemical ID: 5155441

CCN1CCC(C1)CN2c3ccccc3Sc4c2cccc4
Chemical ID:
5155441
Name [?]:
10-[(1-ethylpyrrolidin-3-yl)methyl]phenothiazine
SMILES [?]:
CCN1CCC(C1)CN2c3ccccc3Sc4c2cccc4
InChi [?]:
InChI=1/C19H22N2S/c1-2-20-12-11-15(13-20)14-21-16-7-3-5-9-18(16)22-19-10-6-4-8-17(19)21/h3-10,15H,2,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,20,13,21,11,19,14,22,5,4,7,8,6,10,18,15,17,3,9,16/E:(3,4)(5,6)(7,8)(9,10)(16,17)(18,19)/rA:22cCCNCCCCCNCCCCCCSCCCCCC/rB:s1;s2;s3;s4;s5;s3s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s9s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:10.7181
Area:495.306
Solvation:-1.66454
Coulombic:-14.1832
Bond Count [?]
All:25
Single:19
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:310.457
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.75
LogP (Chemaxon):4.4

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Descriptor Annotations

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