Chemical ID: 3964587

c1ccc(cc1)c2c3ccccc3c(nn2)Nc4cccc(c4)Cl
Chemical ID:
3964587
Name [?]:
N-(3-chlorophenyl)-4-phenyl-phthalazin-1-amine
SMILES [?]:
c1ccc(cc1)c2c3ccccc3c(nn2)Nc4cccc(c4)Cl
InChi [?]:
InChI=1/C20H14ClN3/c21-15-9-6-10-16(13-15)22-20-18-12-5-4-11-17(18)19(23-24-20)14-7-2-1-3-8-14/h1-13H,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,11,20,3,5,21,19,9,12,23,4,22,18,8,13,7,14,24,17,16,15/E:(2,3)(7,8)/rA:24nCCCCCCCCCCCCCCNNNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;d14;d7s15;s14;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14ClN3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.3621
Area:525.391
Solvation:-1.77265
Coulombic:-20.0647
Bond Count [?]
All:27
Single:16
Double:11
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:331.798
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.8
LogP (Chemaxon):4.96

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