Chemical ID: 7723495

Cc1ccc(c2c1n(c(=NC(=O)c3cc4ccccc4oc3=O)s2)C)Cl
Chemical ID:
7723495
Name [?]:
None
SMILES [?]:
Cc1ccc(c2c1n(c(=NC(=O)c3cc4ccccc4oc3=O)s2)C)Cl
InChi [?]:
InChI=1/C19H13ClN2O3S/c1-10-7-8-13(20)16-15(10)22(2)19(26-16)21-17(23)12-9-11-5-3-4-6-14(11)25-18(12)24/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,17,18,16,19,3,4,14,2,15,13,5,20,7,6,11,22,9,26,10,8,12,23,21,24/rA:26nCCCCCCCNCNCOCCCCCCCCOCOSCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;w9;s10;d11;s11;d13;s14;s15;d16;s17;d18;d15s19;s20;s13s21;d22;s6s9;s8;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13ClN2O3S
All Atoms:39
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:10.3201
Area:556.232
Solvation:-3.5857
Coulombic:-42.6384
Bond Count [?]
All:29
Single:19
Double:10
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.36
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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