Chemical ID: 7442724

c1ccc2c(c1)c(n[nH]c2=O)Cc3c[nH]c4c3cccc4
Chemical ID:
7442724
Name [?]:
4-(1H-indol-3-ylmethyl)-2H-phthalazin-1-one
SMILES [?]:
c1ccc2c(c1)c(n[nH]c2=O)Cc3c[nH]c4c3cccc4
InChi [?]:
InChI=1/C17H13N3O/c21-17-14-7-2-1-6-13(14)16(19-20-17)9-11-10-18-15-8-4-3-5-12(11)15/h1-8,10,18H,9H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,19,20,18,6,3,21,12,14,13,17,5,4,16,7,10,15,8,9,11/rA:21nCCCCCCCNNCOCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s4s9;d10;s7;s12;d13;s14;s15;s13s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13N3O
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.76951
Area:454.927
Solvation:-2.60366
Coulombic:-32.302
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:275.305
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.72
LogP (Chemaxon):3.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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