Chemical ID: 7723999

CC(C)C(=O)N=c1n(c2c(s1)cccc2Cl)CC#C
Chemical ID:
7723999
Name [?]:
None
SMILES [?]:
CC(C)C(=O)N=c1n(c2c(s1)cccc2Cl)CC#C
InChi [?]:
InChI=1/C14H13ClN2OS/c1-4-8-17-12-10(15)6-5-7-11(12)19-14(17)16-13(18)9(2)3/h1,5-7,9H,8H2,2-3H3
InChi Info:
AuxInfo=1/0/N:19,1,3,18,13,14,12,17,2,15,10,9,4,7,16,6,8,5,11/E:(2,3)/rA:19nCCCCONCNCCSCCCCClCCC/rB:s1;s2;s2;d4;s4;w6;s7;s8;s9;s7s10;d10;s12;d13;d9s14;s15;s8;s17;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13ClN2OS
All Atoms:32
Heavy Atoms:19
Chiral Atoms:None
ZAP Information [?]
Total:9.66829
Area:463.969
Solvation:-1.93095
Coulombic:-26.5045
Bond Count [?]
All:20
Single:14
Double:5
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.57
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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