Chemical ID: 3963973

CN1CCN(CC1)C2Cc3ccccc3Sc4c2cc(cc4)Cl
Chemical ID:
3963973
Name [?]:
None
SMILES [?]:
CN1CCN(CC1)C2Cc3ccccc3Sc4c2cc(cc4)Cl
InChi [?]:
InChI=1/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,14,21,22,3,7,4,6,9,19,10,20,18,8,15,17,23,2,5,16/E:(8,9)(10,11)/rA:23cCNCCNCCCCCCCCCCSCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s8s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21ClN2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:11.3747
Area:516.086
Solvation:-1.52747
Coulombic:-13.5804
Bond Count [?]
All:26
Single:20
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:344.902
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.18
LogP (Chemaxon):4.81

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Descriptor Annotations

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