Chemical ID: 6627327

c1ccc2c(c1)cnn(c2=O)CCC#N
Chemical ID:
6627327
Name [?]:
3-(1-oxophthalazin-2-yl)propanenitrile
SMILES [?]:
c1ccc2c(c1)cnn(c2=O)CCC#N
InChi [?]:
InChI=1/C11H9N3O/c12-6-3-7-14-11(15)10-5-2-1-4-9(10)8-13-14/h1-2,4-5,8H,3,7H2
InChi Info:
AuxInfo=1/0/N:1,2,13,6,3,14,12,7,5,4,10,15,8,9,11/rA:15nCCCCCCCNNCOCCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s4s9;d10;s9;s12;s13;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9N3O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.24437
Area:380.795
Solvation:-2.2755
Coulombic:-18.3463
Bond Count [?]
All:16
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:199.209
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.52
LogP (Chemaxon):0.87

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Descriptor Annotations

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