Chemical ID: 3969101

CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl
Chemical ID:
3969101
Name [?]:
None
SMILES [?]:
CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl
InChi [?]:
InChI=1/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,12,10,13,20,21,4,5,8,18,9,19,17,7,14,16,22,2,6,15/E:(1,2)/rA:22nCNCCCOCCCCCCCCSCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;d10;s11;d12;d9s13;s14;s15;s7s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18ClNOS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.954
Area:515.739
Solvation:-1.93948
Coulombic:-16.6365
Bond Count [?]
All:24
Single:17
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:331.86
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.12
LogP (Chemaxon):4.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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