Chemical ID: 5872660

c1cc(ccc1C(=O)Nc2ccc3c(c2)CCC3)Cl
Chemical ID:
5872660
Name [?]:
4-chloro-N-indan-5-yl-benzamide
SMILES [?]:
c1cc(ccc1C(=O)Nc2ccc3c(c2)CCC3)Cl
InChi [?]:
InChI=1/C16H14ClNO/c17-14-7-4-12(5-8-14)16(19)18-15-9-6-11-2-1-3-13(11)10-15/h4-10H,1-3H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:17,18,16,1,5,12,2,4,11,15,13,6,14,3,10,7,19,9,8/E:(4,5)(7,8)/rA:19nCCCCCCCONCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14ClNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.78855
Area:462.149
Solvation:-1.76517
Coulombic:-23.4253
Bond Count [?]
All:21
Single:14
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:271.741
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.51
LogP (Chemaxon):4.45

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Descriptor Annotations

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