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Chemical ID: 6490305
Chemical ID:
6490305
Name [?]:
N-[(3-chlorophenyl)methyleneamino]-2-(1-naphthyloxy)propanamide
SMILES [?]:
CC(C(=O)NN=Cc1cccc(c1)Cl)Oc2cccc3c2cccc3
InChi [?]:
InChI=1/C20H17ClN2O2/c1-14(20(24)23-22-13-15-6-4-9-17(21)12-15)25-19-11-5-8-16-7-2-3-10-18(16)19/h2-14H,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,23,10,18,9,25,19,11,22,17,13,7,2,8,20,12,21,16,3,14,6,5,4,15/rA:25cCCCONNCCCCCCCClOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s2;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17ClN2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.10746 |
Area: | 567.645 |
Solvation: | -5.08365 |
Coulombic: | -28.9906 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.814 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.09 |
LogP (Chemaxon): | 5.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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