Chemical ID: 6687317

CCC1COC(O1)(Cn2cncn2)c3ccc(cc3Cl)Cl
Chemical ID:
6687317
Name [?]:
1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
SMILES [?]:
CCC1COC(O1)(Cn2cncn2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,15,18,4,8,12,10,17,3,14,19,6,21,20,11,13,9,5,7/rA:21cCCCCOCOCNCNCNCCCCCCClCl/rB:s1;s2;s3;s4;s5;s3s6;s6;s8;s9;d10;s11;s9d12;s6;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15Cl2N3O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:8.14774
Area:474.96
Solvation:-3.72626
Coulombic:-29.275
Bond Count [?]
All:23
Single:18
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:328.193
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.85
LogP (Chemaxon):3.61

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Descriptor Annotations

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