Chemical ID: 4275841

Cc1c2ccccc2c(nn1)OC
Chemical ID:
4275841
Name [?]:
4-methoxy-1-methyl-phthalazine
SMILES [?]:
Cc1c2ccccc2c(nn1)OC
InChi [?]:
InChI=1/C10H10N2O/c1-7-8-5-3-4-6-9(8)10(13-2)12-11-7/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,5,6,4,7,2,3,8,9,11,10,12/rA:13nCCCCCCCCCNNOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d2s10;s9;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N2O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.53256
Area:328.652
Solvation:-1.68376
Coulombic:-13.8799
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:174.199
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.16
LogP (Chemaxon):1.02

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue