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Chemical ID: 6435064
Chemical ID:
6435064
Name [?]:
4-acenaphthen-5-ylimino-2-hydroxy-naphthalen-1-one
SMILES [?]:
c1ccc2c(c1)C(=Nc3ccc4c5c3cccc5CC4)C=C(C2=O)O
InChi [?]:
InChI=1/C22H15NO2/c24-20-12-19(15-5-1-2-6-16(15)22(20)25)23-18-11-10-14-9-8-13-4-3-7-17(18)21(13)14/h1-7,10-12,24H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,16,17,6,3,15,19,20,11,10,21,18,12,5,4,14,9,7,22,13,23,8,25,24/rA:25nCCCCCCCNCCCCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s18;s12s19;s7;d21;s4s22;d23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.04167 |
Area: | 492.161 |
Solvation: | -3.26236 |
Coulombic: | -32.4809 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 325.36 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.04 |
LogP (Chemaxon): | 4.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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