Chemical ID: 5500388

CCC(C)(C)C1Cc2c(c3ccccc3nc2C(=Cc4ccc(c(c4)[N+](=O)[O-])NC)C1)C(=O)O
Chemical ID:
5500388
Name [?]:
2-(1,1-dimethylpropyl)-4-[(4-methylamino-3-nitro-phenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILES [?]:
CCC(C)(C)C1Cc2c(c3ccccc3nc2C(=Cc4ccc(c(c4)[N+](=O)[O-])NC)C1)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H29N3O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:9.03018
Area:656.488
Solvation:-7.38202
Coulombic:-60.5938
Bond Count [?]
All:37
Single:26
Double:11
Rotors:6
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:459.537
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:7.25
LogP (Chemaxon):6.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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