Chemical ID: 6684856

CCCCC(Cn1cncn1)(c2ccc(cc2Cl)Cl)O
Chemical ID:
6684856
Name [?]:
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol
SMILES [?]:
CCCCC(Cn1cncn1)(c2ccc(cc2Cl)Cl)O
InChi [?]:
InChI=1/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,14,13,4,16,6,10,8,15,12,17,5,19,18,9,11,7,20/rA:20cCCCCCCNCNCNCCCCCCClClO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;s7d10;s5;s12;d13;s14;d15;d12s16;s17;s15;s5;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17Cl2N3O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.10505
Area:487.995
Solvation:-3.09482
Coulombic:-28.4329
Bond Count [?]
All:21
Single:16
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:314.21
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.69
LogP (Chemaxon):3.29

Name Annotations

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Descriptor Annotations

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