Chemical ID: 4696863

c1ccc2c(c1)c(n[nH]c2=O)Cc3ccc(cc3Cl)Cl
Chemical ID:
4696863
Name [?]:
4-[(2,4-dichlorophenyl)methyl]-2H-phthalazin-1-one
SMILES [?]:
c1ccc2c(c1)c(n[nH]c2=O)Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C15H10Cl2N2O/c16-10-6-5-9(13(17)8-10)7-14-11-3-1-2-4-12(11)15(20)19-18-14/h1-6,8H,7H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,15,12,17,13,16,5,4,18,7,10,20,19,8,9,11/rA:20nCCCCCCCNNCOCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s4s9;d10;s7;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10Cl2N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.82003
Area:473.796
Solvation:-2.02486
Coulombic:-22.7243
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:305.158
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.89
LogP (Chemaxon):3.92

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