Chemical ID: 7244222

c1ccc(cc1)c2c(cn(n2)Cc3ccccc3Cl)C=O
Chemical ID:
7244222
Name [?]:
1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazole-4-carbaldehyde
SMILES [?]:
c1ccc(cc1)c2c(cn(n2)Cc3ccccc3Cl)C=O
InChi [?]:
InChI=1/C17H13ClN2O/c18-16-9-5-4-8-14(16)10-20-11-15(12-21)17(19-20)13-6-2-1-3-7-13/h1-9,11-12H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,16,3,5,14,17,12,9,20,4,13,8,18,7,19,11,10,21/E:(2,3)(6,7)/rA:21nCCCCCCCCCNNCCCCCCCClCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;s13;d14;s15;d16;d13s17;s18;s8;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClN2O
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.01823
Area:485.98
Solvation:-3.13127
Coulombic:-14.3558
Bond Count [?]
All:23
Single:14
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.751
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.4
LogP (Chemaxon):4.37

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue