Chemical ID: 4964435

c1ccc2c(c1)C(=CC(=O)C2=O)N
Chemical ID:
4964435
Name [?]:
4-aminonaphthalene-1,2-dione
SMILES [?]:
c1ccc2c(c1)C(=CC(=O)C2=O)N
InChi [?]:
InChI=1/C10H7NO2/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5H,11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,5,4,7,9,11,13,10,12/rA:13nCCCCCCCCCOCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;d11;s7;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.50265
Area:324.0
Solvation:-2.59736
Coulombic:-34.2677
Bond Count [?]
All:14
Single:8
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:173.168
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.95
LogP (Chemaxon):0.22

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Descriptor Annotations

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