Chemical ID: 7511027

c1ccc(cc1)N2C(CC(=N2)c3ccc(cc3)O)C=C(Cl)Cl
Chemical ID:
7511027
Name [?]:
4-[5-(2,2-dichlorovinyl)-1-phenyl-4,5-dihydropyrazol-3-yl]phenol
SMILES [?]:
c1ccc(cc1)N2C(CC(=N2)c3ccc(cc3)O)C=C(Cl)Cl
InChi [?]:
InChI=1/C17H14Cl2N2O/c18-17(19)11-14-10-16(12-6-8-15(22)9-7-12)20-21(14)13-4-2-1-3-5-13/h1-9,11,14,22H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,13,17,14,16,9,19,12,4,8,15,10,20,21,22,11,7,18/E:(2,3)(4,5)(6,7)(8,9)(18,19)/rA:22cCCCCCCNCCCNCCCCCCOCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s7d10;s10;s12;d13;s14;d15;d12s16;s15;s8;d19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14Cl2N2O
All Atoms:36
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:10.2023
Area:523.638
Solvation:-2.88867
Coulombic:-23.6898
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.14
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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