Chemical ID: 3999236

c1ccc(cc1)c2c(cn(n2)c3ccccc3)CCl
Chemical ID:
3999236
Name [?]:
4-(chloromethyl)-1,3-diphenyl-pyrazole
SMILES [?]:
c1ccc(cc1)c2c(cn(n2)c3ccccc3)CCl
InChi [?]:
InChI=1/C16H13ClN2/c17-11-14-12-19(15-9-5-2-6-10-15)18-16(14)13-7-3-1-4-8-13/h1-10,12H,11H2
InChi Info:
AuxInfo=1/0/N:1,15,2,6,14,16,3,5,13,17,18,9,4,8,12,7,19,11,10/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCCCCCCCCCNNCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s8;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClN2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.2919
Area:455.886
Solvation:-2.10525
Coulombic:-7.87478
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:268.741
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.4
LogP (Chemaxon):4.7

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Descriptor Annotations

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