Chemical ID: 5517049

c1ccc2c(c1)cccc2COc3ccc(cc3Cl)C#N
Chemical ID:
5517049
Name [?]:
3-chloro-4-(1-naphthylmethoxy)benzonitrile
SMILES [?]:
c1ccc2c(c1)cccc2COc3ccc(cc3Cl)C#N
InChi [?]:
InChI=1/C18H12ClNO/c19-17-10-13(11-20)8-9-18(17)21-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-10H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,8,6,7,9,3,15,14,17,20,11,16,5,10,4,18,13,19,21,12/rA:21nCCCCCCCCCCCOCCCCCCClCN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12ClNO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.6116
Area:497.938
Solvation:-2.83686
Coulombic:-14.0461
Bond Count [?]
All:23
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:293.747
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.26
LogP (Chemaxon):4.91

Name Annotations

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Descriptor Annotations

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