Chemical ID: 4506987

c1ccc2c(c1)-c3ccc(cc3C(=O)C2=O)N
Chemical ID:
4506987
Name [?]:
2-aminophenanthrene-9,10-dione
SMILES [?]:
c1ccc2c(c1)-c3ccc(cc3C(=O)C2=O)N
InChi [?]:
InChI=1/C14H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H,15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,9,8,11,10,5,7,4,12,15,13,17,16,14/rA:17nCCCCCCCCCCCCCOCON/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s12;d13;s4s13;d15;s10;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.05229
Area:383.398
Solvation:-2.53267
Coulombic:-35.566
Bond Count [?]
All:19
Single:11
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:223.227
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.29
LogP (Chemaxon):2.33

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Experimental Annotations

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Descriptor Annotations

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