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Chemical ID: 4275841
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
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Experimental Annotations
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Descriptor Annotations
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