Chemical ID: 4715611

c1ccc2c(c1)c(n[nH]c2=O)c3ccc4c(c3)CCC4
Chemical ID:
4715611
Name [?]:
4-indan-5-yl-2H-phthalazin-1-one
SMILES [?]:
c1ccc2c(c1)c(n[nH]c2=O)c3ccc4c(c3)CCC4
InChi [?]:
InChI=1/C17H14N2O/c20-17-15-7-2-1-6-14(15)16(18-19-17)13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10H,3-5H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,19,20,18,6,3,14,13,17,15,16,12,5,4,7,10,8,9,11/rA:20nCCCCCCCNNCOCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s4s9;d10;s7;s12;d13;s14;d15;d12s16;s16;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.22149
Area:436.026
Solvation:-1.67917
Coulombic:-22.9642
Bond Count [?]
All:23
Single:15
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:262.306
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.72
LogP (Chemaxon):3.77

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