Chemical ID: 6420578

CN1CCC(C1)CN2c3ccccc3Sc4c2cccc4
Chemical ID:
6420578
Name [?]:
10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine
SMILES [?]:
CN1CCC(C1)CN2c3ccccc3Sc4c2cccc4
InChi [?]:
InChI=1/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,19,12,20,10,18,13,21,4,3,6,7,5,9,17,14,16,2,8,15/E:(2,3)(4,5)(6,7)(8,9)(15,16)(17,18)/rA:21cCNCCCCCNCCCCCCSCCCCCC/rB:s1;s2;s3;s4;s2s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s8s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:10.0782
Area:470.434
Solvation:-1.68265
Coulombic:-14.0621
Bond Count [?]
All:24
Single:18
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:296.431
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.32
LogP (Chemaxon):4.05

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Descriptor Annotations

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