Chemical ID: 6741437

C[NH+]1CCc2c(sc3c2C(=O)NC(N3)c4ccccc4Cl)C1
Chemical ID:
6741437
Name [?]:
None
SMILES [?]:
C[NH+]1CCc2c(sc3c2C(=O)NC(N3)c4ccccc4Cl)C1
InChi [?]:
InChI=1/C16H16ClN3OS/c1-20-7-6-10-12(8-20)22-16-13(10)15(21)18-14(19-16)9-4-2-3-5-11(9)17/h2-5,14,19H,6-8H2,1H3,(H,18,21)/p+1
InChi Info:
AuxInfo=1/1/N:1,17,18,16,19,4,3,22,15,5,20,6,9,13,10,8,21,12,14,2,11,7/rA:22cCN+CCCCSCCCONCNCCCCCCClC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8s13;s13;s15;d16;s17;d18;d15s19;s20;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17ClN3OS+
All Atoms:39
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:-20.5657
Area:497.523
Solvation:-33.0038
Coulombic:-3.62347
Bond Count [?]
All:25
Single:19
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:334.845
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.92
LogP (Chemaxon):2.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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