Chemical ID: 4584929

CCc1ccc(cc1)Cc2c3ccccc3c(=O)[nH]n2
Chemical ID:
4584929
Name [?]:
4-[(4-ethylphenyl)methyl]-2H-phthalazin-1-one
SMILES [?]:
CCc1ccc(cc1)Cc2c3ccccc3c(=O)[nH]n2
InChi [?]:
InChI=1/C17H16N2O/c1-2-12-7-9-13(10-8-12)11-16-14-5-3-4-6-15(14)17(20)19-18-16/h3-10H,2,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,13,14,12,15,4,8,5,7,9,3,6,11,16,10,17,20,19,18/E:(7,8)(9,10)/rA:20nCCCCCCCCCCCCCCCCCONN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;d10s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.40836
Area:461.726
Solvation:-2.13478
Coulombic:-22.5973
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:264.322
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.55
LogP (Chemaxon):3.74

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