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Chemical ID: 6630192
Chemical ID:
6630192
Name [?]:
[1-[2-(1-naphthyloxy)propanoylaminoiminomethyl]-2-naphthyl] 2-chlorobenzoate
SMILES [?]:
CC(C(=O)NN=Cc1c2ccccc2ccc1OC(=O)c3ccccc3Cl)Oc4cccc5c4cccc5
InChi [?]:
InChI=1/C31H23ClN2O4/c1-20(37-28-16-8-11-21-9-3-5-13-24(21)28)30(35)34-33-19-26-23-12-4-2-10-22(23)17-18-29(26)38-31(36)25-14-6-7-15-27(25)32/h2-20H,1H3,(H,34,35)
InChi Info:
AuxInfo=1/1/N:1,12,37,11,36,23,24,31,38,13,32,10,35,22,25,30,15,16,7,2,33,14,9,34,21,8,26,29,17,3,19,27,6,5,4,20,28,18/rA:38cCCCONNCCCCCCCCCCCOCOCCCCCCClOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;d8s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;s2;s28;s29;d30;s31;d32;d29s33;s34;d35;s36;s33d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H23ClN2O4 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5696 |
Area: | 736.013 |
Solvation: | -5.8307 |
Coulombic: | -50.1891 |
Bond Count [?]
All: | 42 |
Single: | 26 |
Double: | 16 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 522.978 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 8.86 |
LogP (Chemaxon): | 7.31 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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