Chemical ID: 4777688

c1ccc(cc1)C(C#N)Nc2ccc(cc2)Cl
Chemical ID:
4777688
Name [?]:
2-(4-chlorophenyl)amino-2-phenyl-acetonitrile
SMILES [?]:
c1ccc(cc1)C(C#N)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H11ClN2/c15-12-6-8-13(9-7-12)17-14(10-16)11-4-2-1-3-5-11/h1-9,14,17H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,13,15,12,16,8,4,14,11,7,17,9,10/E:(2,3)(4,5)(6,7)(8,9)/rA:17cCCCCCCCCNNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;t8;s7;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11ClN2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:9.26603
Area:442.248
Solvation:-1.79017
Coulombic:-18.4236
Bond Count [?]
All:18
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:242.703
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.36
LogP (Chemaxon):3.99

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Descriptor Annotations

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