Chemical ID: 7145666

C[NH+]1CCc2c(sc3c2C(=O)NC(N3)c4c(cccc4Cl)Cl)C1
Chemical ID:
7145666
Name [?]:
None
SMILES [?]:
C[NH+]1CCc2c(sc3c2C(=O)NC(N3)c4c(cccc4Cl)Cl)C1
InChi [?]:
InChI=1/C16H15Cl2N3OS/c1-21-6-5-8-11(7-21)23-16-12(8)15(22)19-14(20-16)13-9(17)3-2-4-10(13)18/h2-4,14,20H,5-7H2,1H3,(H,19,22)/p+1
InChi Info:
AuxInfo=1/1/N:1,18,17,19,4,3,23,5,16,20,6,9,15,13,10,8,22,21,12,14,2,11,7/E:(3,4)(9,10)(17,18)/rA:23cCN+CCCCSCCCONCNCCCCCCClClC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8s13;s13;s15;d16;s17;d18;d15s19;s20;s16;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16Cl2N3OS+
All Atoms:39
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:-19.9037
Area:515.875
Solvation:-32.8005
Coulombic:-3.6579
Bond Count [?]
All:26
Single:20
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:369.289
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.54
LogP (Chemaxon):3.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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