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Chemical ID: 4994733
Chemical ID:
4994733
Name [?]:
1-[(4-chlorophenyl)methoxy]naphthalene
SMILES [?]:
c1ccc2c(c1)cccc2OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C17H13ClO/c18-15-10-8-13(9-11-15)12-19-17-7-3-5-14-4-1-2-6-16(14)17/h1-11H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,8,6,7,3,9,14,18,15,17,12,13,5,16,4,10,19,11/E:(8,9)(10,11)/rA:19nCCCCCCCCCCOCCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13ClO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.36116 |
Area: | 463.038 |
Solvation: | -2.2148 |
Coulombic: | -12.0175 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.737 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.53 |
LogP (Chemaxon): | 5.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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