Chemical ID: 5124040

Cc1c2ccccc2c(nn1)O
Chemical ID:
5124040
Name [?]:
4-methylphthalazin-1-ol
SMILES [?]:
Cc1c2ccccc2c(nn1)O
InChi [?]:
InChI=1/C9H8N2O/c1-6-7-4-2-3-5-8(7)9(12)11-10-6/h2-5H,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,7,2,3,8,9,11,10,12/rA:12nCCCCCCCCCNNO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d2s10;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N2O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.71209
Area:307.383
Solvation:-1.97248
Coulombic:-21.337
Bond Count [?]
All:13
Single:8
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:160.173
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.84
LogP (Chemaxon):0.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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