Chemical ID: 6523959

c1cc(c(cc1C#N)[N+](=O)[O-])NCC2CC3CCC2C3
Chemical ID:
6523959
Name [?]:
3-nitro-4-(norbornan-2-ylmethylamino)benzonitrile
SMILES [?]:
c1cc(c(cc1C#N)[N+](=O)[O-])NCC2CC3CCC2C3
InChi [?]:
InChI=1/C15H17N3O2/c16-8-11-2-4-14(15(7-11)18(19)20)17-9-13-6-10-1-3-12(13)5-10/h2,4,7,10,12-13,17H,1,3,5-6,9H2
InChi Info:
AuxInfo=1/0/N:17,1,18,2,20,15,5,7,13,16,6,19,14,3,4,8,12,9,10,11/E:(19,20)/CRV:18.5/rA:20cCCCCCCCNN+OO-NCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;t7;s4;d9;s9;s3;s12;s13;s14;s15;s16;s17;s14s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17N3O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:5.08525
Area:470.614
Solvation:-6.6801
Coulombic:-28.1984
Bond Count [?]
All:22
Single:17
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:271.315
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.36
LogP (Chemaxon):3.7

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Descriptor Annotations

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