Chemical ID: 6428040

CN1CCN(CC1)C2Cc3ccc(cc3Sc4c2cc(cc4)Cl)O
Chemical ID:
6428040
Name [?]:
None
SMILES [?]:
CN1CCN(CC1)C2Cc3ccc(cc3Sc4c2cc(cc4)Cl)O
InChi [?]:
InChI=1/C19H21ClN2OS/c1-21-6-8-22(9-7-21)17-10-13-2-4-15(23)12-19(13)24-18-5-3-14(20)11-16(17)18/h2-5,11-12,17,23H,6-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,21,12,22,3,7,4,6,9,19,14,10,20,13,18,8,17,15,23,2,5,24,16/E:(6,7)(8,9)/rA:24cCNCCNCCCCCCCCCCSCCCCCCClO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s8s17;d18;s19;d20;d17s21;s20;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21ClN2OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.9028
Area:533.829
Solvation:-2.44295
Coulombic:-28.4636
Bond Count [?]
All:27
Single:21
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:360.902
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.78
LogP (Chemaxon):4.17

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Descriptor Annotations

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