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Chemical ID: 6646649
Chemical ID:
6646649
Name [?]:
[4-[(4-hydroxybenzoyl)aminoiminomethyl]phenyl] naphthalene-1-carboxylate
SMILES [?]:
c1ccc2c(c1)cccc2C(=O)Oc3ccc(cc3)C=NNC(=O)c4ccc(cc4)O
InChi [?]:
InChI=1/C25H18N2O4/c28-20-12-10-19(11-13-20)24(29)27-26-16-17-8-14-21(15-9-17)31-25(30)23-7-3-5-18-4-1-2-6-22(18)23/h1-16,28H,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,16,18,26,30,27,29,15,19,20,17,5,25,28,14,4,10,23,11,21,22,31,24,12,13/E:(8,9)(10,11)(12,13)(14,15)/rA:31nCCCCCCCCCCCOOCCCCCCCNNCOCCCCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;w20;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H18N2O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2622 |
Area: | 641.38 |
Solvation: | -4.77227 |
Coulombic: | -57.79 |
Bond Count [?]
All: | 34 |
Single: | 20 |
Double: | 14 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 410.422 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.36 |
LogP (Chemaxon): | 5.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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