Chemical ID: 7277983

c1cc(ccc1CNc2ccc(cc2[N+](=O)[O-])C#N)Cl
Chemical ID:
7277983
Name [?]:
4-[(4-chlorophenyl)methylamino]-3-nitro-benzonitrile
SMILES [?]:
c1cc(ccc1CNc2ccc(cc2[N+](=O)[O-])C#N)Cl
InChi [?]:
InChI=1/C14H10ClN3O2/c15-12-4-1-10(2-5-12)9-17-13-6-3-11(8-16)7-14(13)18(19)20/h1-7,17H,9H2
InChi Info:
AuxInfo=1/0/N:1,5,11,2,4,10,13,18,7,6,12,3,9,14,20,19,8,15,16,17/E:(1,2)(4,5)(19,20)/CRV:18.5/rA:20nCCCCCCCNCCCCCCN+OO-CNCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s12;t18;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10ClN3O2
All Atoms:30
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:4.79475
Area:494.362
Solvation:-7.56429
Coulombic:-28.1732
Bond Count [?]
All:21
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:287.701
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.14
LogP (Chemaxon):4.33

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