IngredientID 69795

acridine

C13H9N

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Relationship Network

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Herb: 1Ingredient: 1Links: 1
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
69795
Core Entity Id
132444
Source Entity Count
1
Preferred Name
acridine
Name En
Pubchem Id
9215
Smiles Canonical
C1=CC=C2C(=C1)C=C3C=CC=CC3=N2
Molecular Formula
C13H9N
Molecular Weight
179.0700
Inchikey
DZBUGLKDJFMEHC-UHFFFAOYSA-N
Inchi
InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H
Isomeric Smiles
Cas Id
Ob Score
Mol Logp
3.4000
Num H Donors
0
Num H Acceptors
1
Num Rotatable Bonds
0
Drug Likeness
Polar Surface Area
12.9000
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
acridine
Role
preferred
Source
ETCM_v2
Preferred
Yes

Cross References

Trusted external identifiers retained for this final record.

Etcm Ingredient
acridine
Itcmdb Generated
ITX-INGREDIENT-450C47110A0C

Attributes

Merged source attributes and domain-specific metadata.

Molecular Weight
179.070
Molecular Formula
C13H9N
Fda Maximum Daily Dose (Fdamdd)
0.711
Quantitative Estimate Of Drug Likeness(Qed)
0.482