Chemical ID: 4994733

c1ccc2c(c1)cccc2OCc3ccc(cc3)Cl
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

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Descriptor Annotations

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